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

Systemtic Name: 2-(3,4-dimethylphenyl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3,4-dimethylphenyl)ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3,4-dimethylphenyl)ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3,4-dimethylphenyl)ethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3,4-dimethylphenyl)ethanone Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c1-9-3-4-11(5-10(9)2)6-14(18)12-7-13(17(21)22)16(20)15(19)8-12/h3-5,7-8,19-20H,6H2,1-2H3