[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H15N3O4/c21-10-9-13-5-7-14(8-6-13)22-19(25)12-27-20(26)17-11-18(24)15-3-1-2-4-16(15)23-17/h1-8,11H,9,12H2,(H,22,25)(H,23,24)