2-cyano-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-cyano-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-cyano-3-(4-nitrophenyl)propanoic acid CAS Name: 2-cyano-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-cyano-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-cyano-3-(4-nitrophenyl)propionic acid Formula: C10H8N2O4 MolecularWeight: 220.18152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C#N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4/c11-6-8(10(13)14)5-7-1-3-9(4-2-7)12(15)16/h1-4,8H,5H2,(H,13,14)