2-[(6-nitroquinolin-2-yl)amino]butanoic acid

Systemtic Name: 2-[(6-nitroquinolin-2-yl)amino]butanoic acid Openeye Name: 2-[(6-nitro-2-quinolyl)amino]butanoic acid CAS Name: 2-[(6-nitro-2-quinolinyl)amino]butanoic acid IUPAC Name: 2-[(6-nitroquinolin-2-yl)amino]butanoic acid Traditional Name: 2-[(6-nitro-2-quinolyl)amino]butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]

InChI

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