(4E)-2-nitro-4-[3-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-benzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-nitro-4-[3-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-benzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[3-[(4-hydroxy-3-nitro-phenyl)methyl]-1H-benzimidazol-2-ylidene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[3-[(4-hydroxy-3-nitrophenyl)methyl]-1H-benzimidazol-2-ylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[3-[(4-hydroxy-3-nitrophenyl)methyl]-1H-benzimidazol-2-ylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[3-(4-hydroxy-3-nitro-benzyl)-1H-benzimidazol-2-ylidene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C20H14N4O6 MolecularWeight: 406.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=O)C(=C3)[N+](=O)[O-])N2CC4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])/N2CC4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O6/c25-18-7-5-12(9-16(18)23(27)28)11-22-15-4-2-1-3-14(15)21-20(22)13-6-8-19(26)17(10-13)24(29)30/h1-10,21,25H,11H2/b20-13+