(E)-5-methoxy-2-nitro-1-(3-nitrophenyl)pent-1-en-3-one

Systemtic Name: (E)-5-methoxy-2-nitro-1-(3-nitrophenyl)pent-1-en-3-one Openeye Name: (E)-5-methoxy-2-nitro-1-(3-nitrophenyl)pent-1-en-3-one CAS Name: (E)-5-methoxy-2-nitro-1-(3-nitrophenyl)-1-penten-3-one IUPAC Name: (E)-5-methoxy-2-nitro-1-(3-nitrophenyl)pent-1-en-3-one Traditional Name: (E)-5-methoxy-2-nitro-1-(3-nitrophenyl)pent-1-en-3-one Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6/c1-20-6-5-12(15)11(14(18)19)8-9-3-2-4-10(7-9)13(16)17/h2-4,7-8H,5-6H2,1H3/b11-8+