[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3/c1-19-11-5-9-15(19)17(22)23-13-16(21)20(12-6-10-18)14-7-3-2-4-8-14/h2-5,7-9,11H,6,12-13H2,1H3