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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O4/c1-7(4-12(18)19)16-13-9-5-8(14)2-3-10(9)15-6-11(13)17(20)21/h2-3,5-7H,4H2,1H3,(H,15,16)(H,18,19)