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

Systemtic Name: 2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]propanoate Openeye Name: 2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)propanoate CAS Name: 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)propanoate IUPAC Name: 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)propanoate Traditional Name: 2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)propionate Formula: C10H7N2O6- MolecularWeight: 251.17238

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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)/p-1