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

Systemtic Name: 4-bromanyl-2-[(4-methyl-5-oxidanylidene-3-propan-2-yloxy-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 4-bromo-2-[(3-isopropoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 4-bromo-2-[(4-methyl-5-oxo-3-propan-2-yloxy-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 4-bromo-2-[(4-methyl-5-oxo-3-propan-2-yloxy-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 4-bromo-2-[(3-isopropoxy-5-keto-4-methyl-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C14H16BrN3O4 MolecularWeight: 370.19854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CC(C)OC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C14H16BrN3O4/c1-8(2)22-13-16-18(14(21)17(13)3)7-9-6-10(15)4-5-11(9)12(19)20/h4-6,8H,7H2,1-3H3,(H,19,20)