(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-methyl-3-oxidanyl-benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NN=NN2C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NN=NN2C3=CC=CC=C3)O

InChI

InChI=1S/C16H14N4O3/c1-11-7-8-12(9-14(11)21)16(22)23-10-15-17-18-19-20(15)13-5-3-2-4-6-13/h2-9,21H,10H2,1H3