4-nitro-2-[(E)-[(3E)-3-[(5-nitro-2-oxidanidyl-phenyl)methylidene]-2-oxidanylidene-cyclohexylidene]methyl]phenolate

Systemtic Name: 4-nitro-2-[(E)-[(3E)-3-[(5-nitro-2-oxidanidyl-phenyl)methylidene]-2-oxidanylidene-cyclohexylidene]methyl]phenolate Openeye Name: 4-nitro-2-[(E)-[(3E)-3-[(5-nitro-2-oxido-phenyl)methylene]-2-oxo-cyclohexylidene]methyl]phenolate CAS Name: 4-nitro-2-[(E)-[(3E)-3-[(5-nitro-2-oxidophenyl)methylidene]-2-oxocyclohexylidene]methyl]phenolate IUPAC Name: 4-nitro-2-[(E)-[(3E)-3-[(5-nitro-2-oxidophenyl)methylidene]-2-oxocyclohexylidene]methyl]phenolate Traditional Name: 2-[(E)-[(3E)-2-keto-3-(5-nitro-2-oxido-benzylidene)cyclohexylidene]methyl]-4-nitro-phenolate Formula: C20H14N2O7-2 MolecularWeight: 394.33436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C1

Isomeric SMILES

C1C/C(=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-])/C(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])[O-])/C1

InChI

InChI=1S/C20H16N2O7/c23-18-6-4-16(21(26)27)10-14(18)8-12-2-1-3-13(20(12)25)9-15-11-17(22(28)29)5-7-19(15)24/h4-11,23-24H,1-3H2/p-2/b12-8+,13-9+