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

Systemtic Name: 3-[(5-nitroquinolin-8-yl)amino]butanoic acid Openeye Name: 3-[(5-nitro-8-quinolyl)amino]butanoic acid CAS Name: 3-[(5-nitro-8-quinolinyl)amino]butanoic acid IUPAC Name: 3-[(5-nitroquinolin-8-yl)amino]butanoic acid Traditional Name: 3-[(5-nitro-8-quinolyl)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(=C(C=C1)[N+](=O)[O-])C=CC=N2

Isomeric SMILES

CC(CC(=O)O)NC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2

InChI

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