ethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-7-nitro-3,4-dihydro-2H-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-7-nitro-3,4-dihydro-2H-quinoline-3-carboxylate Openeye Name: ethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-7-nitro-3,4-dihydro-2H-quinoline-3-carboxylate CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-7-nitro-3,4-dihydro-2H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-7-nitro-3,4-dihydro-2H-quinoline-3-carboxylate Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-7-nitro-3,4-dihydro-2H-quinoline-3-carboxylic acid ethyl ester Formula: C28H44N4O7 MolecularWeight: 548.67156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OCC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OCC)N)O

InChI

InChI=1S/C28H44N4O7/c1-6-8-11-30-26(35)18(3)12-24(33)22(29)15-28(4,5)16-25(34)31-17-20(27(36)39-7-2)13-19-9-10-21(32(37)38)14-23(19)31/h9-10,14,18,20,22,24,33H,6-8,11-13,15-17,29H2,1-5H3,(H,30,35)