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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H15N3O4/c1-24-18(23)16(13-5-3-2-4-6-13)25-17(22)14-7-9-15(10-8-14)21-12-19-11-20-21/h2-12,16H,1H3