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

Systemtic Name: 4-bromanyl-2-[(3,4-dicyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 4-bromo-2-[(3,4-dicyclopropyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 4-bromo-2-[(3,4-dicyclopropyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 4-bromo-2-[(3,4-dicyclopropyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 4-bromo-2-[(3,4-dicyclopropyl-5-keto-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C16H16BrN3O3 MolecularWeight: 378.22054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=O)N2C3CC3)CC4=C(C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1CC1C2=NN(C(=O)N2C3CC3)CC4=C(C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C16H16BrN3O3/c17-11-3-6-13(15(21)22)10(7-11)8-19-16(23)20(12-4-5-12)14(18-19)9-1-2-9/h3,6-7,9,12H,1-2,4-5,8H2,(H,21,22)