[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C19H17N3O4/c1-13(23)21-16-8-4-15(5-9-16)19(25)26-12-18(24)22-17-6-2-14(3-7-17)10-11-20/h2-9H,10,12H2,1H3,(H,21,23)(H,22,24)