5-[(3-oxidanylidenecyclohexen-1-yl)amino]-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-oxidanylidenecyclohexen-1-yl)amino]-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid CAS Name: 5-[(3-oxo-1-cyclohexenyl)amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c21-14-8-4-7-13(9-14)19-16-15(17(22)23)10-18-20(16)11-12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8,11H2,(H,22,23)