1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]ethylphosphonic acid

Systemtic Name: 1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]ethylphosphonic acid Openeye Name: 1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]ethylphosphonic acid CAS Name: 1-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methylamino]ethylphosphonic acid IUPAC Name: 1-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methylamino]ethylphosphonic acid Traditional Name: 1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]ethylphosphonic acid Formula: C13H17N4O7P MolecularWeight: 372.270441

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC1=CC(=CC2=C1N=C(C(=N2)OC)OC)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CC(NCC1=CC(=CC2=C1N=C(C(=N2)OC)OC)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C13H17N4O7P/c1-7(25(20,21)22)14-6-8-4-9(17(18)19)5-10-11(8)16-13(24-3)12(15-10)23-2/h4-5,7,14H,6H2,1-3H3,(H2,20,21,22)