4-[(4Z)-4-[(3-nitro-2-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate

Systemtic Name: 4-[(4Z)-4-[(3-nitro-2-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-[(3-nitro-2-oxido-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(3-nitro-2-oxidophenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-[(3-nitro-2-oxidophenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-5-keto-4-(3-nitro-2-oxido-benzylidene)-3-phenyl-2-pyrazolin-1-yl]benzoate Formula: C23H13N3O6-2 MolecularWeight: 427.36582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-])C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O6/c27-21-16(7-4-8-19(21)26(31)32)13-18-20(14-5-2-1-3-6-14)24-25(22(18)28)17-11-9-15(10-12-17)23(29)30/h1-13,27H,(H,29,30)/p-2/b18-13-