3-(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-3-(methoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-3-(methoxycarbonylamino)propanoic acid Openeye Name: 3-(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-3-(methoxycarbonylamino)propanoic acid CAS Name: 3-(2,3-dimethoxy-7-nitro-5-quinoxalinyl)-3-(methoxycarbonylamino)propanoic acid IUPAC Name: 3-(2,3-dimethoxy-7-nitroquinoxalin-5-yl)-3-(methoxycarbonylamino)propanoic acid Traditional Name: 3-(carbomethoxyamino)-3-(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)propionic acid Formula: C15H16N4O8 MolecularWeight: 380.30954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])C(CC(=O)O)NC(=O)OC)N=C1OC

Isomeric SMILES

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])C(CC(=O)O)NC(=O)OC)N=C1OC

InChI

InChI=1S/C15H16N4O8/c1-25-13-14(26-2)18-12-8(4-7(19(23)24)5-10(12)16-13)9(6-11(20)21)17-15(22)27-3/h4-5,9H,6H2,1-3H3,(H,17,22)(H,20,21)