[2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 2-methylpropanoate

Systemtic Name: [2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-(3,4-dihydroxy-5-nitro-phenyl)-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(3,4-dihydroxy-5-nitro-phenyl)-2-keto-ethyl] ester Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO7/c1-6(2)12(17)20-5-10(15)7-3-8(13(18)19)11(16)9(14)4-7/h3-4,6,14,16H,5H2,1-2H3