1,5-bis(3-nitro-4-oxidanyl-phenyl)pentan-3-one

Systemtic Name: 1,5-bis(3-nitro-4-oxidanyl-phenyl)pentan-3-one Openeye Name: 1,5-bis(4-hydroxy-3-nitro-phenyl)pentan-3-one CAS Name: 1,5-bis(4-hydroxy-3-nitrophenyl)-3-pentanone IUPAC Name: 1,5-bis(4-hydroxy-3-nitrophenyl)pentan-3-one Traditional Name: 1,5-bis(4-hydroxy-3-nitro-phenyl)pentan-3-one Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)CCC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)CCC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C17H16N2O7/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/h3-4,7-10,21-22H,1-2,5-6H2