2-chloranyl-5-[5-methyl-3-oxidanylidene-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[5-methyl-3-oxidanylidene-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-methyl-3-oxo-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid CAS Name: 2-chloro-5-[5-methyl-3-oxo-4-[(E)-(3-phenyl-4-pyrazolylidene)methyl]-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 2-chloro-5-[5-methyl-3-oxo-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-keto-3-methyl-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3-pyrazolin-1-yl]benzoic acid Formula: C21H15ClN4O3 MolecularWeight: 406.8218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)O)C=C3C=NN=C3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)O)/C=C/3\C=NN=C3C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN4O3/c1-12-16(9-14-11-23-24-19(14)13-5-3-2-4-6-13)20(27)26(25-12)15-7-8-18(22)17(10-15)21(28)29/h2-11,25H,1H3,(H,28,29)/b14-9+