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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-13(22)14-10-16(20-11-14)18(24)25-12-17(23)21(9-5-8-19)15-6-3-2-4-7-15/h2-4,6-7,10-11,20H,5,9,12H2,1H3