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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Openeye Name: 1-[(2-fluorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid CAS Name: 1-[(2-fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexenyl)amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-fluorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Traditional Name: 1-(2-fluorobenzyl)-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Formula: C17H16FN3O3 MolecularWeight: 329.325643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)NC2=C(C=NN2CC3=CC=CC=C3F)C(=O)O

Isomeric SMILES

C1CC(=CC(=O)C1)NC2=C(C=NN2CC3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C17H16FN3O3/c18-15-7-2-1-4-11(15)10-21-16(14(9-19-21)17(23)24)20-12-5-3-6-13(22)8-12/h1-2,4,7-9,20H,3,5-6,10H2,(H,23,24)