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

Systemtic Name: 4-[(4Z)-3-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-3-methyl-4-[(5-nitro-2-oxido-phenyl)methylene]-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-3-methyl-4-[(5-nitro-2-oxidophenyl)methylidene]-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-3-methyl-4-[(5-nitro-2-oxidophenyl)methylidene]-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(5-nitro-2-oxido-benzylidene)-2-pyrazolin-1-yl]benzoate Formula: C18H11N3O6-2 MolecularWeight: 365.29644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H13N3O6/c1-10-15(9-12-8-14(21(26)27)6-7-16(12)22)17(23)20(19-10)13-4-2-11(3-5-13)18(24)25/h2-9,22H,1H3,(H,24,25)/p-2/b15-9-