5-chloranyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]benzoic acid

Systemtic Name: 5-chloranyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]benzoic acid Openeye Name: 5-chloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]benzoic acid CAS Name: 5-chloro-2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]benzoic acid IUPAC Name: 5-chloro-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoic acid Traditional Name: 5-chloro-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]benzoic acid Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H16ClN3O4/c1-11-16(18(25)23(22(11)2)13-6-4-3-5-7-13)21-17(24)14-9-8-12(20)10-15(14)19(26)27/h3-10H,1-2H3,(H,21,24)(H,26,27)