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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H21N3O3/c1-9(2)19-10(3)6-13(12(19)5)16(21)22-8-15(20)14(7-17)11(4)18/h6,9,14,18H,8H2,1-5H3/t14-/m1/s1