1-(8-nitroisoquinolin-5-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(8-nitroisoquinolin-5-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(8-nitro-5-isoquinolyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(8-nitro-5-isoquinolinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(8-nitroisoquinolin-5-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(8-nitro-5-isoquinolyl)proline Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N3O4/c18-14(19)13-2-1-7-16(13)11-3-4-12(17(20)21)10-8-15-6-5-9(10)11/h3-6,8,13H,1-2,7H2,(H,18,19)