4-[3-tert-butyl-5-[(3-oxidanidylcyclohex-2-en-1-ylidene)amino]pyrazol-1-yl]benzoate

Systemtic Name: 4-[3-tert-butyl-5-[(3-oxidanidylcyclohex-2-en-1-ylidene)amino]pyrazol-1-yl]benzoate Openeye Name: 4-[3-tert-butyl-5-[(3-oxidocyclohex-2-en-1-ylidene)amino]pyrazol-1-yl]benzoate CAS Name: 4-[3-tert-butyl-5-[(3-oxido-1-cyclohex-2-enylidene)amino]-1-pyrazolyl]benzoate IUPAC Name: 4-[3-tert-butyl-5-[(3-oxidocyclohex-2-en-1-ylidene)amino]pyrazol-1-yl]benzoate Traditional Name: 4-[3-tert-butyl-5-[(3-oxidocyclohex-2-en-1-ylidene)amino]pyrazol-1-yl]benzoate Formula: C20H21N3O3-2 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)N=C2CCCC(=C2)[O-])C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)N=C2CCCC(=C2)[O-])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/h7-12,24H,4-6H2,1-3H3,(H,25,26)/p-2