1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxo-1-cyclohexenyl)amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Traditional Name: 1-(2,4-dichlorobenzyl)-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Formula: C17H15Cl2N3O3 MolecularWeight: 380.2253

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)NC2=C(C=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(=CC(=O)C1)NC2=C(C=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H15Cl2N3O3/c18-11-5-4-10(15(19)6-11)9-22-16(14(8-20-22)17(24)25)21-12-2-1-3-13(23)7-12/h4-8,21H,1-3,9H2,(H,24,25)