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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

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