tert-butyl (5E)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-2-carboxylate

Systemtic Name: tert-butyl (5E)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-2-carboxylate Openeye Name: tert-butyl (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-2-carboxylate CAS Name: (5E)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-2-carboxylate Traditional Name: (3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-5-(3,4,5-trimethoxyphenyl)-3-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=C2C=CC=CC2=O)N1)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C/C(=C\2/C=CC=CC2=O)/N1)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H26N2O6/c1-23(2,3)31-22(27)25-17(13-16(24-25)15-9-7-8-10-18(15)26)14-11-19(28-4)21(30-6)20(12-14)29-5/h7-13,24H,1-6H3/b16-15+