3-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-(3,4-dihydroxy-5-nitro-phenyl)-3-oxo-propanoic acid CAS Name: 3-(3,4-dihydroxy-5-nitrophenyl)-3-oxopropanoic acid IUPAC Name: 3-(3,4-dihydroxy-5-nitrophenyl)-3-oxopropanoic acid Traditional Name: 3-(3,4-dihydroxy-5-nitro-phenyl)-3-keto-propionic acid Formula: C9H7NO7 MolecularWeight: 241.15438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO7/c11-6(3-8(13)14)4-1-5(10(16)17)9(15)7(12)2-4/h1-2,12,15H,3H2,(H,13,14)