benzene; 3-[2-carboxyethyl(nitro)amino]propanoic acid

Systemtic Name: benzene; 3-[2-carboxyethyl(nitro)amino]propanoic acid Openeye Name: benzene; 3-[2-carboxyethyl(nitro)amino]propanoic acid CAS Name: benzene; 3-[2-carboxyethyl(nitro)amino]propanoic acid IUPAC Name: benzene; 3-[2-carboxyethyl(nitro)amino]propanoic acid Traditional Name: benzene; 3-[2-carboxyethyl(nitro)amino]propionic acid Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C(CN(CCC(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=CC=C1.C(CN(CCC(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C6H10N2O6.C6H6/c9-5(10)1-3-7(8(13)14)4-2-6(11)12;1-2-4-6-5-3-1/h1-4H2,(H,9,10)(H,11,12);1-6H