ethyl 4-[4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-[2-(4-ethoxycarbonylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate

Systemtic Name: ethyl 4-[4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-[2-(4-ethoxycarbonylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: ethyl 4-[4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-[2-(4-ethoxycarbonylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-[2-(4-ethoxycarbonylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-[2-(4-ethoxycarbonylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-[1-(4-carbethoxyphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C34H33BrN4O8 MolecularWeight: 705.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C(C3=CC(=C(C(=C3)Br)O)OC)C4=C(NN(C4=O)C5=CC=C(C=C5)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C(C3=CC(=C(C(=C3)Br)O)OC)C4=C(NN(C4=O)C5=CC=C(C=C5)C(=O)OCC)C

InChI

InChI=1S/C34H33BrN4O8/c1-6-46-33(43)20-8-12-23(13-9-20)38-31(41)27(18(3)36-38)29(22-16-25(35)30(40)26(17-22)45-5)28-19(4)37-39(32(28)42)24-14-10-21(11-15-24)34(44)47-7-2/h8-17,29,36-37,40H,6-7H2,1-5H3