3-[[5-(3-azanylpropanoylamino)-2-nitro-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-(3-azanylpropanoylamino)-2-nitro-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[5-(3-aminopropanoylamino)-2-nitro-benzoyl]amino]propanoic acid CAS Name: 3-[[[5-[(3-amino-1-oxopropyl)amino]-2-nitrophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-(3-aminopropanoylamino)-2-nitrobenzoyl]amino]propanoic acid Traditional Name: 3-[[5-(3-aminopropanoylamino)-2-nitro-benzoyl]amino]propionic acid Formula: C13H16N4O6 MolecularWeight: 324.28934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCN)C(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCN)C(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6/c14-5-3-11(18)16-8-1-2-10(17(22)23)9(7-8)13(21)15-6-4-12(19)20/h1-2,7H,3-6,14H2,(H,15,21)(H,16,18)(H,19,20)