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

Systemtic Name: methyl 3-(1-cyanocyclopropyl)-5-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: methyl 3-(1-cyanocyclopropyl)-5-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 3-(1-cyanocyclopropyl)-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-cyanocyclopropyl)-5-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 3-(1-cyanocyclopropyl)-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)CN2C=NC=N2)C3(CC3)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)CN2C=NC=N2)C3(CC3)C#N

InChI

InChI=1S/C15H14N4O2/c1-21-14(20)12-4-11(7-19-10-17-9-18-19)5-13(6-12)15(8-16)2-3-15/h4-6,9-10H,2-3,7H2,1H3