[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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