2-nitro-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-nitro-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one Openeye Name: 2-nitro-3-(4-nitroanilino)cyclohex-2-en-1-one CAS Name: 2-nitro-3-(4-nitroanilino)-1-cyclohex-2-enone IUPAC Name: 2-nitro-3-(4-nitroanilino)cyclohex-2-en-1-one Traditional Name: 2-nitro-3-(4-nitroanilino)cyclohex-2-en-1-one Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C(=O)C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5/c16-11-3-1-2-10(12(11)15(19)20)13-8-4-6-9(7-5-8)14(17)18/h4-7,13H,1-3H2