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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)C(C#N)C(=N)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C)C

InChI

InChI=1S/C18H19N5O3/c1-10-5-6-15(11(2)7-10)23-21-13(4)17(22-23)18(25)26-9-16(24)14(8-19)12(3)20/h5-7,14,20H,9H2,1-4H3/t14-/m0/s1