(2-methylpyrazol-3-yl) 2-bromanyl-4-(4-ethyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(N=N1)C2=CC(=C(C=C2)C(=O)OC3=CC=NN3C)Br

Isomeric SMILES

CCN1C(=O)N(N=N1)C2=CC(=C(C=C2)C(=O)OC3=CC=NN3C)Br

InChI

InChI=1S/C14H13BrN6O3/c1-3-20-14(23)21(18-17-20)9-4-5-10(11(15)8-9)13(22)24-12-6-7-16-19(12)2/h4-8H,3H2,1-2H3