[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c1-13-3-8-17(14(2)11-13)24-21(29)25-19(27)12-30-20(28)15-4-6-16(7-5-15)23-18(26)9-10-22/h3-8,11H,9,12H2,1-2H3,(H,23,26)(H2,24,25,27,29)