2-(4-cyano-2-nitro-phenyl)propanedioic acid

Systemtic Name: 2-(4-cyano-2-nitro-phenyl)propanedioic acid Openeye Name: 2-(4-cyano-2-nitro-phenyl)propanedioic acid CAS Name: 2-(4-cyano-2-nitrophenyl)propanedioic acid IUPAC Name: 2-(4-cyano-2-nitrophenyl)propanedioic acid Traditional Name: 2-(4-cyano-2-nitro-phenyl)malonic acid Formula: C10H6N2O6 MolecularWeight: 250.16444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])C(C(=O)O)C(=O)O

InChI

InChI=1S/C10H6N2O6/c11-4-5-1-2-6(7(3-5)12(17)18)8(9(13)14)10(15)16/h1-3,8H,(H,13,14)(H,15,16)