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

Systemtic Name: (1E,4E)-1,5-bis(3-nitro-4-oxidanyl-phenyl)penta-1,4-dien-3-one Openeye Name: (1E,4E)-1,5-bis(4-hydroxy-3-nitro-phenyl)penta-1,4-dien-3-one CAS Name: (1E,4E)-1,5-bis(4-hydroxy-3-nitrophenyl)-3-penta-1,4-dienone IUPAC Name: (1E,4E)-1,5-bis(4-hydroxy-3-nitrophenyl)penta-1,4-dien-3-one Traditional Name: (1E,4E)-1,5-bis(4-hydroxy-3-nitro-phenyl)penta-1,4-dien-3-one Formula: C17H12N2O7 MolecularWeight: 356.28638

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H12N2O7/c20-13(5-1-11-3-7-16(21)14(9-11)18(23)24)6-2-12-4-8-17(22)15(10-12)19(25)26/h1-10,21-22H/b5-1+,6-2+