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

Systemtic Name: 2-(4-butylphenyl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(4-butylphenyl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone CAS Name: 2-(4-butylphenyl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone IUPAC Name: 2-(4-butylphenyl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone Traditional Name: 2-(4-butylphenyl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-2-3-4-12-5-7-13(8-6-12)9-16(20)14-10-15(19(23)24)18(22)17(21)11-14/h5-8,10-11,21-22H,2-4,9H2,1H3