[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 8-chloro-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 8-chloro-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-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=CC=C3Cl)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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