(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C19H17N3O4 MolecularWeight: 351.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H17N3O4/c1-25-19(24)17(15-5-3-2-4-6-15)26-18(23)16-9-7-14(8-10-16)11-22-13-20-12-21-22/h2-10,12-13,17H,11H2,1H3