2-(4-butoxyphenyl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(4-butoxyphenyl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(4-butoxyphenyl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone CAS Name: 2-(4-butoxyphenyl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone IUPAC Name: 2-(4-butoxyphenyl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone Traditional Name: 2-(4-butoxyphenyl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO6/c1-2-3-8-25-14-6-4-12(5-7-14)9-16(20)13-10-15(19(23)24)18(22)17(21)11-13/h4-7,10-11,21-22H,2-3,8-9H2,1H3