4-bromanyl-2-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-bromanyl-2-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 4-bromo-2-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 4-bromo-2-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 4-bromo-2-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 4-bromo-2-[(5-keto-3,4-dimethyl-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C12H12BrN3O3/c1-7-14-16(12(19)15(7)2)6-8-5-9(13)3-4-10(8)11(17)18/h3-5H,6H2,1-2H3,(H,17,18)