3-[(8-nitroisoquinolin-5-yl)amino]propanoic acid

Systemtic Name: 3-[(8-nitroisoquinolin-5-yl)amino]propanoic acid Openeye Name: 3-[(8-nitro-5-isoquinolyl)amino]propanoic acid CAS Name: 3-[(8-nitro-5-isoquinolinyl)amino]propanoic acid IUPAC Name: 3-[(8-nitroisoquinolin-5-yl)amino]propanoic acid Traditional Name: 3-[(8-nitro-5-isoquinolyl)amino]propionic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=NC=CC2=C1NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C=NC=CC2=C1NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c16-12(17)4-6-14-10-1-2-11(15(18)19)9-7-13-5-3-8(9)10/h1-3,5,7,14H,4,6H2,(H,16,17)