[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15N3O3/c1-13-10-17(16-4-2-3-5-18(16)22-13)20(25)26-12-19(24)23-15-8-6-14(11-21)7-9-15/h2-10H,12H2,1H3,(H,23,24)