[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3/c19-9-8-13-4-6-16(7-5-13)21-17(22)12-24-18(23)15-3-1-2-14(10-15)11-20/h1-7,10H,8,12H2,(H,21,22)