3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-ethyl-amino]propanoic acid

Systemtic Name: 3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-ethyl-amino]propanoic acid Openeye Name: 3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-ethyl-amino]propanoic acid CAS Name: 3-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)-ethylamino]propanoic acid IUPAC Name: 3-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)-ethylamino]propanoic acid Traditional Name: 3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-ethyl-amino]propionic acid Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C1=C2C(=CC(=C1)[N+](=O)[O-])N=C(C(=N2)OC)OC

Isomeric SMILES

CCN(CCC(=O)O)C1=C2C(=CC(=C1)[N+](=O)[O-])N=C(C(=N2)OC)OC

InChI

InChI=1S/C15H18N4O6/c1-4-18(6-5-12(20)21)11-8-9(19(22)23)7-10-13(11)17-15(25-3)14(16-10)24-2/h7-8H,4-6H2,1-3H3,(H,20,21)