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

Systemtic Name: 2-[(8-nitroisoquinolin-5-yl)amino]propanoic acid Openeye Name: 2-[(8-nitro-5-isoquinolyl)amino]propanoic acid CAS Name: 2-[(8-nitro-5-isoquinolinyl)amino]propanoic acid IUPAC Name: 2-[(8-nitroisoquinolin-5-yl)amino]propanoic acid Traditional Name: 2-[(8-nitro-5-isoquinolyl)amino]propionic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-7(12(16)17)14-10-2-3-11(15(18)19)9-6-13-5-4-8(9)10/h2-7,14H,1H3,(H,16,17)