4-chloranyl-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3/c1-8-5-9(2)18(17-8)7-13(19)16-12-6-10(14(20)21)3-4-11(12)15/h3-6H,7H2,1-2H3,(H,16,19)(H,20,21)