2-[(5-nitroquinolin-8-yl)amino]butanoic acid

Systemtic Name: 2-[(5-nitroquinolin-8-yl)amino]butanoic acid Openeye Name: 2-[(5-nitro-8-quinolyl)amino]butanoic acid CAS Name: 2-[(5-nitro-8-quinolinyl)amino]butanoic acid IUPAC Name: 2-[(5-nitroquinolin-8-yl)amino]butanoic acid Traditional Name: 2-[(5-nitro-8-quinolyl)amino]butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-2-9(13(17)18)15-10-5-6-11(16(19)20)8-4-3-7-14-12(8)10/h3-7,9,15H,2H2,1H3,(H,17,18)