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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H21N3O3/c1-12(2)22-13(3)8-17(14(22)4)19(24)25-11-18(23)21-16-7-5-6-15(9-16)10-20/h5-9,12H,11H2,1-4H3,(H,21,23)