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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-14(7-12(16)17)10-2-3-11(15(18)19)9-6-13-5-4-8(9)10/h2-6H,7H2,1H3,(H,16,17)