5-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-2-hydroxy-benzoic acid Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CC(=C(C=C2)O)C(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=CC(=C(C=C2)O)C(=O)O)C)Br

InChI

InChI=1S/C16H18BrN3O4/c1-8(7-20-10(3)14(17)9(2)19-20)15(22)18-11-4-5-13(21)12(6-11)16(23)24/h4-6,8,21H,7H2,1-3H3,(H,18,22)(H,23,24)