2-(3-chlorophenyl)-3-ethyl-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 2-(3-chlorophenyl)-3-ethyl-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid Openeye Name: 2-(3-chlorophenyl)-3-ethyl-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid CAS Name: 2-(3-chlorophenyl)-3-ethyl-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-(3-chlorophenyl)-3-ethyl-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-pyrazoline-4-carboxylic acid Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C18H15ClN2O4/c1-2-13-16(18(24)25)17(10-6-7-14(22)15(23)8-10)20-21(13)12-5-3-4-11(19)9-12/h3-9,20,23H,2H2,1H3,(H,24,25)