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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C

InChI

InChI=1S/C15H19N3O3/c1-5-18-9(2)6-12(11(18)4)15(20)21-8-14(19)13(7-16)10(3)17/h6,13,17H,5,8H2,1-4H3/t13-/m0/s1