methyl 3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methyl 3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: methyl 3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(=O)OC

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(=O)OC

InChI

InChI=1S/C15H16N4O2/c1-15(2,8-16)13-5-11(7-19-10-17-9-18-19)4-12(6-13)14(20)21-3/h4-6,9-10H,7H2,1-3H3