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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O3/c1-12-10-17(13(2)23(12)16-8-9-16)20(25)26-14(3)19(24)22-18-7-5-4-6-15(18)11-21/h4-7,10,14,16H,8-9H2,1-3H3,(H,22,24)