(1E,4E)-1,5-bis(3-methoxy-5-nitro-4-oxidanyl-phenyl)penta-1,4-dien-3-one

Systemtic Name: (1E,4E)-1,5-bis(3-methoxy-5-nitro-4-oxidanyl-phenyl)penta-1,4-dien-3-one Openeye Name: (1E,4E)-1,5-bis(4-hydroxy-3-methoxy-5-nitro-phenyl)penta-1,4-dien-3-one CAS Name: (1E,4E)-1,5-bis(4-hydroxy-3-methoxy-5-nitrophenyl)-3-penta-1,4-dienone IUPAC Name: (1E,4E)-1,5-bis(4-hydroxy-3-methoxy-5-nitrophenyl)penta-1,4-dien-3-one Traditional Name: (1E,4E)-1,5-bis(4-hydroxy-3-methoxy-5-nitro-phenyl)penta-1,4-dien-3-one Formula: C19H16N2O9 MolecularWeight: 416.33834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O9/c1-29-16-9-11(7-14(18(16)23)20(25)26)3-5-13(22)6-4-12-8-15(21(27)28)19(24)17(10-12)30-2/h3-10,23-24H,1-2H3/b5-3+,6-4+