[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H14ClN5O3 MolecularWeight: 359.76706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)C(C#N)C(=N)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H14ClN5O3/c1-9(19)13(7-18)14(23)8-25-16(24)15-10(2)20-22(21-15)12-5-3-4-11(17)6-12/h3-6,13,19H,8H2,1-2H3/t13-/m0/s1