[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C23H16ClN3O5S MolecularWeight: 481.90824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H16ClN3O5S/c1-13(22(28)25-14-5-4-6-15(11-14)27(30)31)32-23(29)17-12-19(20-9-10-21(24)33-20)26-18-8-3-2-7-16(17)18/h2-13H,1H3,(H,25,28)