[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(4-butylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-6-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H26N2O5/c1-3-4-6-20-10-12-21(13-11-20)27-17-25(24-15-19(2)9-14-26(24)30-27)29(33)36-18-28(32)22-7-5-8-23(16-22)31(34)35/h5,7-17H,3-4,6,18H2,1-2H3