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

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3,4-dimethylphenoxy)ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3,4-dimethylphenoxy)ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3,4-dimethylphenoxy)ethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3,4-dimethylphenoxy)ethanone Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO6/c1-9-3-4-12(5-10(9)2)23-8-15(19)11-6-13(17(21)22)16(20)14(18)7-11/h3-7,18,20H,8H2,1-2H3