[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H14ClN3O3 MolecularWeight: 343.76436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3/c18-14-3-1-2-13(16(14)20)17(23)24-10-15(22)21-12-6-4-11(5-7-12)8-9-19/h1-7H,8,10,20H2,(H,21,22)