[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19N3O3/c1-12-8-17(13(2)22(12)16-6-7-16)19(24)25-11-18(23)21-15-5-3-4-14(9-15)10-20/h3-5,8-9,16H,6-7,11H2,1-2H3,(H,21,23)