[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-chloro-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-chloro-2-(p-tolyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H17ClN2O5 MolecularWeight: 460.86588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H17ClN2O5/c1-15-5-7-16(8-6-15)23-13-21(20-12-18(26)9-10-22(20)27-23)25(30)33-14-24(29)17-3-2-4-19(11-17)28(31)32/h2-13H,14H2,1H3