[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C21H13ClN4O5S MolecularWeight: 468.86972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O5S/c22-13-7-5-12(6-8-13)17-9-15(14-3-1-2-4-16(14)24-17)20(28)31-11-18(27)25-21-23-10-19(32-21)26(29)30/h1-10H,11H2,(H,23,25,27)