[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C11H13N3O3/c1-14-7-2-4-9(14)11(16)17-8-10(15)13-6-3-5-12/h2,4,7H,3,6,8H2,1H3,(H,13,15)