[4-[(E)-[(5-tert-butyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-[(5-tert-butyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-[[(5-tert-butyl-1H-pyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NNC(=C2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NNC(=C2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O6/c1-5-34-20-12-15(14-25-28-22(30)18-13-21(27-26-18)24(2,3)4)6-11-19(20)35-23(31)16-7-9-17(10-8-16)29(32)33/h6-14H,5H2,1-4H3,(H,26,27)(H,28,30)/b25-14+