2,2-dimethyl-4-[3-nitro-4,5-bis(oxidanyl)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: 2,2-dimethyl-4-[3-nitro-4,5-bis(oxidanyl)phenyl]-4-oxidanylidene-butanoate Openeye Name: 4-(3,4-dihydroxy-5-nitro-phenyl)-2,2-dimethyl-4-oxo-butanoate CAS Name: 4-(3,4-dihydroxy-5-nitrophenyl)-2,2-dimethyl-4-oxobutanoate IUPAC Name: 4-(3,4-dihydroxy-5-nitrophenyl)-2,2-dimethyl-4-oxobutanoate Traditional Name: 4-(3,4-dihydroxy-5-nitro-phenyl)-4-keto-2,2-dimethyl-butyrate Formula: C12H12NO7- MolecularWeight: 282.22618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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