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

Systemtic Name: 2-[(3-nitro-4-oxidanyl-phenyl)amino]propanoic acid Openeye Name: 2-(4-hydroxy-3-nitro-anilino)propanoic acid CAS Name: 2-(4-hydroxy-3-nitroanilino)propanoic acid IUPAC Name: 2-(4-hydroxy-3-nitroanilino)propanoic acid Traditional Name: 2-(4-hydroxy-3-nitro-anilino)propionic acid Formula: C9H10N2O5 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC(=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=CC(=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O5/c1-5(9(13)14)10-6-2-3-8(12)7(4-6)11(15)16/h2-5,10,12H,1H3,(H,13,14)