[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C19H13ClN4O4 MolecularWeight: 396.78392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)NC(=O)CC#N

InChI

InChI=1S/C19H13ClN4O4/c20-16-9-15(6-3-13(16)10-22)24-18(26)11-28-19(27)12-1-4-14(5-2-12)23-17(25)7-8-21/h1-6,9H,7,11H2,(H,23,25)(H,24,26)