(2-methylpyrazol-3-yl) 4-bromanyl-2-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]benzoate

Systemtic Name: (2-methylpyrazol-3-yl) 4-bromanyl-2-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]benzoate Openeye Name: (2-methylpyrazol-3-yl) 4-bromo-2-[(4-methyl-5-oxo-tetrazol-1-yl)methyl]benzoate CAS Name: 4-bromo-2-[(4-methyl-5-oxo-1-tetrazolyl)methyl]benzoic acid (2-methyl-3-pyrazolyl) ester IUPAC Name: (2-methylpyrazol-3-yl) 4-bromo-2-[(4-methyl-5-oxotetrazol-1-yl)methyl]benzoate Traditional Name: 4-bromo-2-[(5-keto-4-methyl-tetrazol-1-yl)methyl]benzoic acid (2-methylpyrazol-3-yl) ester Formula: C14H13BrN6O3 MolecularWeight: 393.19542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)Br)CN3C(=O)N(N=N3)C

Isomeric SMILES

CN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)Br)CN3C(=O)N(N=N3)C

InChI

InChI=1S/C14H13BrN6O3/c1-19-12(5-6-16-19)24-13(22)11-4-3-10(15)7-9(11)8-21-14(23)20(2)17-18-21/h3-7H,8H2,1-2H3