N-[4-(butylamino)-2,2-bis(methoxymethyl)-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide

Systemtic Name: N-[4-(butylamino)-2,2-bis(methoxymethyl)-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide Openeye Name: N-[4-(butylamino)-3-hydroxy-2,2-bis(methoxymethyl)-7-nitro-chroman-6-yl]-N-methyl-acetamide CAS Name: N-[4-(butylamino)-3-hydroxy-2,2-bis(methoxymethyl)-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]-N-methylacetamide IUPAC Name: N-[4-(butylamino)-3-hydroxy-2,2-bis(methoxymethyl)-7-nitro-3,4-dihydrochromen-6-yl]-N-methylacetamide Traditional Name: N-[4-(butylamino)-3-hydroxy-2,2-bis(methoxymethyl)-7-nitro-chroman-6-yl]-N-methyl-acetamide Formula: C20H31N3O7 MolecularWeight: 425.47604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1C(C(OC2=CC(=C(C=C12)N(C)C(=O)C)[N+](=O)[O-])(COC)COC)O

Isomeric SMILES

CCCCNC1C(C(OC2=CC(=C(C=C12)N(C)C(=O)C)[N+](=O)[O-])(COC)COC)O

InChI

InChI=1S/C20H31N3O7/c1-6-7-8-21-18-14-9-15(22(3)13(2)24)16(23(26)27)10-17(14)30-20(11-28-4,12-29-5)19(18)25/h9-10,18-19,21,25H,6-8,11-12H2,1-5H3