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

Systemtic Name: 2-chloranyl-5-[(4E)-3-methyl-5-oxidanylidene-4-(phenylmethylidene)pyrazol-1-yl]benzoic acid Openeye Name: 5-[(4E)-4-benzylidene-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[(4E)-3-methyl-5-oxo-4-(phenylmethylene)-1-pyrazolyl]benzoic acid IUPAC Name: 5-[(4E)-4-benzylidene-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[(4E)-4-benzal-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C18H13ClN2O3 MolecularWeight: 340.76042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H13ClN2O3/c1-11-14(9-12-5-3-2-4-6-12)17(22)21(20-11)13-7-8-16(19)15(10-13)18(23)24/h2-10H,1H3,(H,23,24)/b14-9+