4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid CAS Name: 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O3/c1-7-11(8(2)16-15-7)14-12(17)9-3-5-10(6-4-9)13(18)19/h3-6H,1-2H3,(H,14,17)(H,15,16)(H,18,19)