bis(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methanone

Systemtic Name: bis(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methanone Openeye Name: bis(3-ethoxy-4-hydroxy-5-nitro-phenyl)methanone CAS Name: bis(3-ethoxy-4-hydroxy-5-nitrophenyl)methanone IUPAC Name: bis(3-ethoxy-4-hydroxy-5-nitrophenyl)methanone Traditional Name: bis(3-ethoxy-4-hydroxy-5-nitro-phenyl)methanone Formula: C17H16N2O9 MolecularWeight: 392.31694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C(=O)C2=CC(=C(C(=C2)OCC)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C(=O)C2=CC(=C(C(=C2)OCC)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O9/c1-3-27-13-7-9(5-11(16(13)21)18(23)24)15(20)10-6-12(19(25)26)17(22)14(8-10)28-4-2/h5-8,21-22H,3-4H2,1-2H3