phenacyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: phenacyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: phenacyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid phenacyl ester Formula: C16H12N4O3 MolecularWeight: 308.29148

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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=NN=N3

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O3/c21-15(12-4-2-1-3-5-12)10-23-16(22)13-6-8-14(9-7-13)20-11-17-18-19-20/h1-9,11H,10H2