3,5-bis(chloranyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid CAS Name: 3,5-dichloro-2-[[(3,5-dimethyl-1H-pyrazol-4-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid Traditional Name: 3,5-dichloro-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid Formula: C13H11Cl2N3O3 MolecularWeight: 328.15074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(=O)NC2=C(C=C(C=C2C(=O)O)Cl)Cl

Isomeric SMILES

CC1=C(C(=NN1)C)C(=O)NC2=C(C=C(C=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C13H11Cl2N3O3/c1-5-10(6(2)18-17-5)12(19)16-11-8(13(20)21)3-7(14)4-9(11)15/h3-4H,1-2H3,(H,16,19)(H,17,18)(H,20,21)