(1E,6E)-1,7-bis(3-nitro-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione

Systemtic Name: (1E,6E)-1,7-bis(3-nitro-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione Openeye Name: (1E,6E)-1,7-bis(4-hydroxy-3-nitro-phenyl)hepta-1,6-diene-3,5-dione CAS Name: (1E,6E)-1,7-bis(4-hydroxy-3-nitrophenyl)hepta-1,6-diene-3,5-dione IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-nitrophenyl)hepta-1,6-diene-3,5-dione Traditional Name: (1E,6E)-1,7-bis(4-hydroxy-3-nitro-phenyl)hepta-1,6-diene-3,5-dione Formula: C19H14N2O8 MolecularWeight: 398.32306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O8/c22-14(5-1-12-3-7-18(24)16(9-12)20(26)27)11-15(23)6-2-13-4-8-19(25)17(10-13)21(28)29/h1-10,24-25H,11H2/b5-1+,6-2+