3-[(5-nitroquinolin-6-yl)amino]butanoic acid

Systemtic Name: 3-[(5-nitroquinolin-6-yl)amino]butanoic acid Openeye Name: 3-[(5-nitro-6-quinolyl)amino]butanoic acid CAS Name: 3-[(5-nitro-6-quinolinyl)amino]butanoic acid IUPAC Name: 3-[(5-nitroquinolin-6-yl)amino]butanoic acid Traditional Name: 3-[(5-nitro-6-quinolyl)amino]butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]

InChI

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