[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H14N4O4/c1-10(20)12(7-18)14(22)9-24-17(23)15-11(2)25-16(13(15)8-19)21-5-3-4-6-21/h3-6,12,20H,9H2,1-2H3/t12-/m0/s1