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

Systemtic Name: (4E)-2-nitro-4-[5-(3-nitro-4-oxidanyl-phenyl)-1H-pyrazin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[5-(4-hydroxy-3-nitro-phenyl)-1H-pyrazin-2-ylidene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[5-(4-hydroxy-3-nitrophenyl)-1H-pyrazin-2-ylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[5-(4-hydroxy-3-nitrophenyl)-1H-pyrazin-2-ylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[5-(4-hydroxy-3-nitro-phenyl)-1H-pyrazin-2-ylidene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C16H10N4O6 MolecularWeight: 354.2738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CNC(=C3C=CC(=O)C(=C3)[N+](=O)[O-])C=N2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1C2=CN/C(=C/3\C=CC(=O)C(=C3)[N+](=O)[O-])/C=N2)[N+](=O)[O-])O

InChI

InChI=1S/C16H10N4O6/c21-15-3-1-9(5-13(15)19(23)24)11-7-18-12(8-17-11)10-2-4-16(22)14(6-10)20(25)26/h1-8,17,22H/b11-9+