O4-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(3R)-3-cyano-4-imino-2-oxo-pentyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(3R)-3-cyano-4-imino-2-oxopentyl] ester O2-ethyl ester IUPAC Name: 4-O-[(3R)-3-cyano-4-imino-2-oxopentyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(3R)-3-cyano-4-imino-2-keto-pentyl] ester O2-ethyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C

InChI

InChI=1S/C16H19N3O5/c1-5-23-16(22)14-8(2)13(10(4)19-14)15(21)24-7-12(20)11(6-17)9(3)18/h11,18-19H,5,7H2,1-4H3/t11-/m0/s1