[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)C

InChI

InChI=1S/C16H14N4O2/c1-11-7-12(2)9-13(8-11)16(21)22-15-5-3-14(4-6-15)20-10-17-18-19-20/h3-10H,1-2H3