propyl 5-cyano-2-(hydroxymethyl)-3-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: propyl 5-cyano-2-(hydroxymethyl)-3-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: propyl 5-cyano-2-(hydroxymethyl)-3-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-(hydroxymethyl)-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester IUPAC Name: propyl 5-cyano-2-(hydroxymethyl)-3-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-methylol-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O3/c1-2-3-22-15(21)13-5-11(6-16)4-12(14(13)8-20)7-19-10-17-9-18-19/h4-5,9-10,20H,2-3,7-8H2,1H3