[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C19H19N3O4/c1-14(23)15-11-17(21(2)12-15)19(25)26-13-18(24)22(10-6-9-20)16-7-4-3-5-8-16/h3-5,7-8,11-12H,6,10,13H2,1-2H3