2-methyl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-en-1-one

Systemtic Name: 2-methyl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-en-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-methyl-prop-2-en-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-methyl-2-propen-1-one IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-methylprop-2-en-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-methyl-prop-2-en-1-one Formula: C10H9NO5 MolecularWeight: 223.18216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO5/c1-5(2)9(13)6-3-7(11(15)16)10(14)8(12)4-6/h3-4,12,14H,1H2,2H3