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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C17H11N3O3 MolecularWeight: 305.28754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O3/c18-9-12-4-6-14(7-5-12)17(22)23-11-16(21)20-15-3-1-2-13(8-15)10-19/h1-8H,11H2,(H,20,21)