4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-N-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxamide

Systemtic Name: 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-N-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxamide Openeye Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-N-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide IUPAC Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-N-(4-methoxyphenyl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxamide Formula: C28H31N3O7 MolecularWeight: 521.56164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H31N3O7/c1-6-38-22-12-16(11-20(26(22)33)31(35)36)24-23(27(34)30-17-7-9-18(37-5)10-8-17)15(2)29-19-13-28(3,4)14-21(32)25(19)24/h7-12,24,29,33H,6,13-14H2,1-5H3,(H,30,34)