1-nitro-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 1-nitro-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-nitro-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-nitro-4-(3-nitrophenyl)-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-nitro-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-nitro-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carbonitrile Formula: C13H9N3O4 MolecularWeight: 271.22826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C=CC(C=C2)(C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C=CC(C=C2)(C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4/c14-9-13(16(19)20)6-4-10(5-7-13)11-2-1-3-12(8-11)15(17)18/h1-8,10H