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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-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-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S/c26-18(24-21-22-11-19(31-21)25(28)29)12-30-20(27)15-10-17(13-6-2-1-3-7-13)23-16-9-5-4-8-14(15)16/h1-11H,12H2,(H,22,24,26)