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

Systemtic Name: 3-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-2-methyl-benzoic acid Openeye Name: 3-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-2-methyl-benzoic acid Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C)CN2C=C(C=N2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(C)CN2C=C(C=N2)Br)C(=O)O

InChI

InChI=1S/C15H16BrN3O3/c1-9(7-19-8-11(16)6-17-19)14(20)18-13-5-3-4-12(10(13)2)15(21)22/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,21,22)