4-[3-tert-butyl-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-tert-butyl-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-tert-butyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazol-1-yl]benzoic acid CAS Name: 4-[3-tert-butyl-5-[(3-oxo-1-cyclohexenyl)amino]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-tert-butyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-tert-butyl-5-[(3-ketocyclohexen-1-yl)amino]pyrazol-1-yl]benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC2=CC(=O)CCC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC2=CC(=O)CCC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H23N3O3/c1-20(2,3)17-12-18(21-14-5-4-6-16(24)11-14)23(22-17)15-9-7-13(8-10-15)19(25)26/h7-12,21H,4-6H2,1-3H3,(H,25,26)