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

Systemtic Name: 3-[(4Z)-3-methyl-4-[(3-nitro-4-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-3-methyl-4-[(3-nitro-4-oxido-phenyl)methylene]-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-3-methyl-4-[(3-nitro-4-oxidophenyl)methylidene]-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-3-methyl-4-[(3-nitro-4-oxidophenyl)methylidene]-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-(3-nitro-4-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=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c1-10-14(7-11-5-6-16(22)15(8-11)21(26)27)17(23)20(19-10)13-4-2-3-12(9-13)18(24)25/h2-9,22H,1H3,(H,24,25)/p-2/b14-7-