3-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxido-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidophenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidophenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-4-(3-ethoxy-5-nitro-4-oxido-benzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoate Formula: C25H17N3O7-2 MolecularWeight: 471.41838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O7/c1-2-35-21-13-15(12-20(23(21)29)28(33)34)11-19-22(16-7-4-3-5-8-16)26-27(24(19)30)18-10-6-9-17(14-18)25(31)32/h3-14,29H,2H2,1H3,(H,31,32)/p-2/b19-11-