3-[(4-cyano-2-nitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[(4-cyano-2-nitro-phenyl)amino]propanoic acid Openeye Name: 3-(4-cyano-2-nitro-anilino)propanoic acid CAS Name: 3-(4-cyano-2-nitroanilino)propanoic acid IUPAC Name: 3-(4-cyano-2-nitroanilino)propanoic acid Traditional Name: 3-(4-cyano-2-nitro-anilino)propionic acid Formula: C10H9N3O4 MolecularWeight: 235.19616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O4/c11-6-7-1-2-8(9(5-7)13(16)17)12-4-3-10(14)15/h1-2,5,12H,3-4H2,(H,14,15)