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

Systemtic Name: 2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)propanoic acid CAS Name: 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)propanoic acid IUPAC Name: 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)propanoic acid Traditional Name: 2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)propionic acid Formula: C10H8N2O6 MolecularWeight: 252.18032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O6/c11-4-6(10(15)16)1-5-2-7(12(17)18)9(14)8(13)3-5/h2-3,6,13-14H,1H2,(H,15,16)