[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

InChI

InChI=1S/C21H21N3O4/c1-13-4-9-18(14(2)12-13)24-20(26)15(3)28-21(27)16-5-7-17(8-6-16)23-19(25)10-11-22/h4-9,12,15H,10H2,1-3H3,(H,23,25)(H,24,26)