N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-N-ethyl-1-phosphonato-ethanamine

Systemtic Name: N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-N-ethyl-1-phosphonato-ethanamine Openeye Name: N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-N-ethyl-1-phosphonato-ethanamine CAS Name: N-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methyl]-N-ethyl-1-phosphonatoethanamine IUPAC Name: N-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methyl]-N-ethyl-1-phosphonatoethanamine Traditional Name: (2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl-ethyl-(1-phosphonatoethyl)amine Formula: C15H19N4O7P-2 MolecularWeight: 398.307721

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC2=C1N=C(C(=N2)OC)OC)[N+](=O)[O-])C(C)P(=O)([O-])[O-]

Isomeric SMILES

CCN(CC1=CC(=CC2=C1N=C(C(=N2)OC)OC)[N+](=O)[O-])C(C)P(=O)([O-])[O-]

InChI

InChI=1S/C15H21N4O7P/c1-5-18(9(2)27(22,23)24)8-10-6-11(19(20)21)7-12-13(10)17-15(26-4)14(16-12)25-3/h6-7,9H,5,8H2,1-4H3,(H2,22,23,24)/p-2