4-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]benzoic acid

Systemtic Name: 4-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]benzoic acid Openeye Name: 4-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]benzoic acid CAS Name: 4-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzoic acid Traditional Name: 4-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]benzoic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(CN1C=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14BrN3O3/c1-9(7-18-8-11(15)6-16-18)13(19)17-12-4-2-10(3-5-12)14(20)21/h2-6,8-9H,7H2,1H3,(H,17,19)(H,20,21)