4-[(8-nitroisoquinolin-5-yl)amino]butanoic acid

Systemtic Name: 4-[(8-nitroisoquinolin-5-yl)amino]butanoic acid Openeye Name: 4-[(8-nitro-5-isoquinolyl)amino]butanoic acid CAS Name: 4-[(8-nitro-5-isoquinolinyl)amino]butanoic acid IUPAC Name: 4-[(8-nitroisoquinolin-5-yl)amino]butanoic acid Traditional Name: 4-[(8-nitro-5-isoquinolyl)amino]butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=NC=CC2=C1NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C=NC=CC2=C1NCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c17-13(18)2-1-6-15-11-3-4-12(16(19)20)10-8-14-7-5-9(10)11/h3-5,7-8,15H,1-2,6H2,(H,17,18)