(4R,4aS,5aR,6R,12aS)-9-azido-7-(dimethylamino)-6-methyl-4,10,12a-tris(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Systemtic Name: (4R,4aS,5aR,6R,12aS)-9-azido-7-(dimethylamino)-6-methyl-4,10,12a-tris(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Openeye Name: (4R,4aS,5aR,6R,12aS)-9-azido-7-(dimethylamino)-4,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide CAS Name: (4R,4aS,5aR,6R,12aS)-9-azido-7-(dimethylamino)-4,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide IUPAC Name: (4R,4aS,5aR,6R,12aS)-9-azido-7-(dimethylamino)-4,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Traditional Name: (4R,4aS,5aR,6R,12aS)-9-azido-7-(dimethylamino)-4,10,12a-trihydroxy-1,3,11,12-tetraketo-6-methyl-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Formula: C22H23N5O8 MolecularWeight: 485.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC3C(C(=O)C(C(=O)C3(C(=O)C2C(=O)C4=C(C(=CC(=C14)N(C)C)N=[N+]=[N-])O)O)C(=O)N)O

Isomeric SMILES

C[C@@H]1[C@H]2C[C@H]3[C@H](C(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C(C(=CC(=C14)N(C)C)N=[N+]=[N-])O)O)C(=O)N)O

InChI

InChI=1S/C22H23N5O8/c1-6-7-4-8-15(28)18(31)14(21(23)34)20(33)22(8,35)19(32)12(7)17(30)13-11(6)10(27(2)3)5-9(16(13)29)25-26-24/h5-8,12,14-15,28-29,35H,4H2,1-3H3,(H2,23,34)/t6-,7-,8+,12?,14?,15-,22+/m1/s1