9-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-5-oxidanyl-nonan-2-one

Systemtic Name: 9-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-5-oxidanyl-nonan-2-one Openeye Name: 9-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]-5-hydroxy-nonan-2-one CAS Name: 9-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-5-hydroxy-2-nonanone IUPAC Name: 9-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]-5-hydroxynonan-2-one Traditional Name: 9-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]-5-hydroxy-nonan-2-one Formula: C20H31N3O6 MolecularWeight: 409.47664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O6/c1-12(24)7-8-13(25)6-4-5-9-22-18-14-10-15(21)16(23(27)28)11-17(14)29-20(2,3)19(18)26/h10-11,13,18-19,22,25-26H,4-9,21H2,1-3H3