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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H13ClN2O3 MolecularWeight: 328.74972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H13ClN2O3/c18-14-5-3-13(4-6-14)17(22)23-11-16(21)20-15-7-1-12(2-8-15)9-10-19/h1-8H,9,11H2,(H,20,21)