2-chloranyl-5-[(4S)-3-methyl-5-oxidanylidene-4-(5-phenyl-1H-pyrazol-4-yl)-4H-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4S)-3-methyl-5-oxidanylidene-4-(5-phenyl-1H-pyrazol-4-yl)-4H-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4S)-3-methyl-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-4H-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4S)-3-methyl-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 2-chloro-5-[(4S)-3-methyl-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-4H-pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4S)-5-keto-3-methyl-4-(5-phenyl-1H-pyrazol-4-yl)-2-pyrazolin-1-yl]benzoic acid Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2=C(NN=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C2=C(NN=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H15ClN4O3/c1-11-17(15-10-22-23-18(15)12-5-3-2-4-6-12)19(26)25(24-11)13-7-8-16(21)14(9-13)20(27)28/h2-10,17H,1H3,(H,22,23)(H,27,28)/t17-/m1/s1