[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H19N3O4/c1-2-14-5-3-4-6-17(14)23-19(25)13-27-20(26)15-7-9-16(10-8-15)22-18(24)11-12-21/h3-10H,2,11,13H2,1H3,(H,22,24)(H,23,25)