3-[2-carboxyethyl-(4-nitrophenyl)amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-(4-nitrophenyl)amino]propanoic acid Openeye Name: 3-[N-(2-carboxyethyl)-4-nitro-anilino]propanoic acid CAS Name: 3-[N-(2-carboxyethyl)-4-nitroanilino]propanoic acid IUPAC Name: 3-[N-(2-carboxyethyl)-4-nitroanilino]propanoic acid Traditional Name: 3-[N-(2-carboxyethyl)-4-nitro-anilino]propionic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c15-11(16)5-7-13(8-6-12(17)18)9-1-3-10(4-2-9)14(19)20/h1-4H,5-8H2,(H,15,16)(H,17,18)