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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

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