2-methyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: 2-methyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-oxidanylidene-propanoate Openeye Name: 3-(3,4-dihydroxy-5-nitro-phenyl)-2-methyl-3-oxo-propanoate CAS Name: 3-(3,4-dihydroxy-5-nitrophenyl)-2-methyl-3-oxopropanoate IUPAC Name: 3-(3,4-dihydroxy-5-nitrophenyl)-2-methyl-3-oxopropanoate Traditional Name: 3-(3,4-dihydroxy-5-nitro-phenyl)-3-keto-2-methyl-propionate Formula: C10H8NO7- MolecularWeight: 254.17302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO7/c1-4(10(15)16)8(13)5-2-6(11(17)18)9(14)7(12)3-5/h2-4,12,14H,1H3,(H,15,16)/p-1