2,2,2-tris(chloranyl)ethyl N-[[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a-bis(oxidanyl)-8,10,11,12-tetrakis(oxidanylidene)-5,5a,6,6a,7,11a-hexahydrotetracen-2-yl]methyl]-N-prop-2-enyl-carbamate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl N-[[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a-bis(oxidanyl)-8,10,11,12-tetrakis(oxidanylidene)-5,5a,6,6a,7,11a-hexahydrotetracen-2-yl]methyl]-N-prop-2-enyl-carbamate Openeye Name: 2,2,2-trichloroethyl N-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,11a-hexahydrotetracen-2-yl]methyl]-N-allyl-carbamate CAS Name: N-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,11a-hexahydrotetracen-2-yl]methyl]-N-prop-2-enylcarbamic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl N-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,11a-hexahydrotetracen-2-yl]methyl]-N-prop-2-enylcarbamate Traditional Name: N-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraketo-5,5a,6,6a,7,11a-hexahydrotetracen-2-yl]methyl]-N-allyl-carbamic acid 2,2,2-trichloroethyl ester Formula: C30H35Cl3N4O9 MolecularWeight: 701.9793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=O)C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)CN(CC=C)C(=O)OCC(Cl)(Cl)Cl)N(C)C

Isomeric SMILES

CN(C)[C@H]1C2CC3CC4=C(C=C(C(=C4C(=O)C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)CN(CC=C)C(=O)OCC(Cl)(Cl)Cl)N(C)C

InChI

InChI=1S/C30H35Cl3N4O9/c1-6-7-37(28(44)46-12-29(31,32)33)11-14-10-17(35(2)3)15-8-13-9-16-21(36(4)5)24(40)20(27(34)43)26(42)30(16,45)25(41)18(13)23(39)19(15)22(14)38/h6,10,13,16,18,21,38,43,45H,1,7-9,11-12,34H2,2-5H3/b27-20-/t13?,16?,18?,21-,30-/m0/s1