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

Systemtic Name: 4-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-oxidanyl-benzoic acid Openeye Name: 4-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-hydroxy-benzoic acid CAS Name: 4-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-hydroxybenzoic acid IUPAC Name: 4-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-3-hydroxybenzoic acid Traditional Name: 4-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-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=C(C=C(C=C2)C(=O)O)O)C)Br

Isomeric SMILES

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

InChI

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