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

Systemtic Name: methyl 3-(1-cyanocyclobutyl)-5-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: methyl 3-(1-cyanocyclobutyl)-5-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 3-(1-cyanocyclobutyl)-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-cyanocyclobutyl)-5-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 3-(1-cyanocyclobutyl)-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)CN2C=NC=N2)C3(CCC3)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)CN2C=NC=N2)C3(CCC3)C#N

InChI

InChI=1S/C16H16N4O2/c1-22-15(21)13-5-12(8-20-11-18-10-19-20)6-14(7-13)16(9-17)3-2-4-16/h5-7,10-11H,2-4,8H2,1H3