[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H19N3O3/c1-12-9-16(14(3)22(12)15-7-5-4-6-8-15)19(24)25-11-18(23)17(10-20)13(2)21/h4-9,17,21H,11H2,1-3H3/t17-/m1/s1