[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H16N4O3/c1-11-7-8-20-21(11)14-5-3-13(4-6-14)17(23)24-10-16(22)15(9-18)12(2)19/h3-8,15,19H,10H2,1-2H3/t15-/m0/s1