methyl 4-[(3-cyano-1,2,4-triazol-4-yl)methyl]benzoate

Systemtic Name: methyl 4-[(3-cyano-1,2,4-triazol-4-yl)methyl]benzoate Openeye Name: methyl 4-[(3-cyano-1,2,4-triazol-4-yl)methyl]benzoate CAS Name: 4-[(3-cyano-1,2,4-triazol-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 4-[(3-cyano-1,2,4-triazol-4-yl)methyl]benzoic acid methyl ester Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NN=C2C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NN=C2C#N

InChI

InChI=1S/C12H10N4O2/c1-18-12(17)10-4-2-9(3-5-10)7-16-8-14-15-11(16)6-13/h2-5,8H,7H2,1H3