4-[(6-bromanyl-3-nitro-quinolin-4-yl)amino]butanoic acid

Systemtic Name: 4-[(6-bromanyl-3-nitro-quinolin-4-yl)amino]butanoic acid Openeye Name: 4-[(6-bromo-3-nitro-4-quinolyl)amino]butanoic acid CAS Name: 4-[(6-bromo-3-nitro-4-quinolinyl)amino]butanoic acid IUPAC Name: 4-[(6-bromo-3-nitroquinolin-4-yl)amino]butanoic acid Traditional Name: 4-[(6-bromo-3-nitro-4-quinolyl)amino]butyric acid Formula: C13H12BrN3O4 MolecularWeight: 354.15608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=C(C(=C2C=C1Br)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NC=C(C(=C2C=C1Br)NCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O4/c14-8-3-4-10-9(6-8)13(11(7-16-10)17(20)21)15-5-1-2-12(18)19/h3-4,6-7H,1-2,5H2,(H,15,16)(H,18,19)