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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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