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

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-methylbenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O2/c1-11-3-2-4-12(9-11)15(20)21-14-7-5-13(6-8-14)19-10-16-17-18-19/h2-10H,1H3