phenacyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: phenacyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: phenacyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid phenacyl ester Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3/c21-16(13-4-2-1-3-5-13)10-23-17(22)14-6-8-15(9-7-14)20-12-18-11-19-20/h1-9,11-12H,10H2