[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C24H16N4O3 MolecularWeight: 408.40884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C24H16N4O3/c25-13-16-6-1-3-9-20(16)28-23(29)15-31-24(30)19-12-22(17-7-5-11-26-14-17)27-21-10-4-2-8-18(19)21/h1-12,14H,15H2,(H,28,29)