[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-tert-butyl-2,3-dimethyl-phenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-tert-butyl-2,3-dimethyl-phenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(5-tert-butyl-2,3-dimethyl-phenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(5-tert-butyl-2,3-dimethylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(5-tert-butyl-2,3-dimethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(5-tert-butyl-2,3-dimethyl-phenyl)-6-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC(=C4C)C)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC(=C4C)C)C(C)(C)C

InChI

InChI=1S/C31H30N2O5/c1-18-10-11-27-25(12-18)26(30(35)38-17-29(34)21-8-7-9-23(14-21)33(36)37)16-28(32-27)24-15-22(31(4,5)6)13-19(2)20(24)3/h7-16H,17H2,1-6H3