ethyl 4-[4-[2-(2,5-diacetyloxyphenyl)ethyl]phenyl]-5-oxidanylidene-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[4-[2-(2,5-diacetyloxyphenyl)ethyl]phenyl]-5-oxidanylidene-pyrazole-3-carboxylate Openeye Name: ethyl 4-[4-[2-(2,5-diacetoxyphenyl)ethyl]phenyl]-5-oxo-pyrazole-3-carboxylate CAS Name: 4-[4-[2-(2,5-diacetyloxyphenyl)ethyl]phenyl]-5-oxo-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(2,5-diacetyloxyphenyl)ethyl]phenyl]-5-oxopyrazole-3-carboxylate Traditional Name: 4-[4-[2-(2,5-diacetoxyphenyl)ethyl]phenyl]-5-keto-pyrazole-3-carboxylic acid ethyl ester Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N=N1)C2=CC=C(C=C2)CCC3=C(C=CC(=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N=N1)C2=CC=C(C=C2)CCC3=C(C=CC(=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C24H22N2O7/c1-4-31-24(30)22-21(23(29)26-25-22)17-8-5-16(6-9-17)7-10-18-13-19(32-14(2)27)11-12-20(18)33-15(3)28/h5-6,8-9,11-13H,4,7,10H2,1-3H3