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

Systemtic Name: N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-1-phosphonato-ethanamine Openeye Name: N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-1-phosphonato-ethanamine CAS Name: N-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methyl]-1-phosphonatoethanamine IUPAC Name: N-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methyl]-1-phosphonatoethanamine Traditional Name: (2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl-(1-phosphonatoethyl)amine Formula: C13H15N4O7P-2 MolecularWeight: 370.254561

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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)/p-2