[2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 7-chloro-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 7-chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid [2-keto-2-[3-methyl-4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C33H25ClN2O7 MolecularWeight: 597.0138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC(=CC=C4)OC)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC(=CC=C4)OC)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H25ClN2O7/c1-19-15-22(7-14-31(19)43-24-10-8-23(9-11-24)36(39)40)30(37)18-42-33(38)27-17-29(21-5-4-6-25(16-21)41-3)35-32-20(2)28(34)13-12-26(27)32/h4-17H,18H2,1-3H3