4-azanylbutanoic acid; N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

Systemtic Name: 4-azanylbutanoic acid; N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide Openeye Name: 4-aminobutanoic acid; N-[1-[(6-chloro-3-pyridyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide CAS Name: 4-aminobutanoic acid; N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide IUPAC Name: 4-aminobutanoic acid; N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide Traditional Name: 4-aminobutyric acid; N-[1-[(6-chloro-3-pyridyl)methyl]-2-imidazolin-2-yl]nitramide Formula: C13H19ClN6O4 MolecularWeight: 358.78076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl.C(CC(=O)O)CN

Isomeric SMILES

C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl.C(CC(=O)O)CN

InChI

InChI=1S/C9H10ClN5O2.C4H9NO2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;5-3-1-2-4(6)7/h1-2,5H,3-4,6H2,(H,11,13);1-3,5H2,(H,6,7)