3-[(8-nitroisoquinolin-5-yl)amino]butanoic acid

Systemtic Name: 3-[(8-nitroisoquinolin-5-yl)amino]butanoic acid Openeye Name: 3-[(8-nitro-5-isoquinolyl)amino]butanoic acid CAS Name: 3-[(8-nitro-5-isoquinolinyl)amino]butanoic acid IUPAC Name: 3-[(8-nitroisoquinolin-5-yl)amino]butanoic acid Traditional Name: 3-[(8-nitro-5-isoquinolyl)amino]butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-8(6-13(17)18)15-11-2-3-12(16(19)20)10-7-14-5-4-9(10)11/h2-5,7-8,15H,6H2,1H3,(H,17,18)