[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C24H17ClN2O5S MolecularWeight: 480.92018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C24H17ClN2O5S/c1-13-5-6-15(10-20(13)27(30)31)21(28)12-32-24(29)17-11-19(22-4-3-9-33-22)26-23-14(2)18(25)8-7-16(17)23/h3-11H,12H2,1-2H3