1-(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-N-[[ethoxy-(phenylmethyl)phosphoryl]methyl]methanamine

Systemtic Name: 1-(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)-N-[[ethoxy-(phenylmethyl)phosphoryl]methyl]methanamine Openeye Name: N-[[benzyl(ethoxy)phosphoryl]methyl]-1-(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methanamine CAS Name: 1-(2,3-dimethoxy-7-nitro-5-quinoxalinyl)-N-[[ethoxy-(phenylmethyl)phosphoryl]methyl]methanamine IUPAC Name: N-[[benzyl(ethoxy)phosphoryl]methyl]-1-(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methanamine Traditional Name: [benzyl(ethoxy)phosphoryl]methyl-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]amine Formula: C21H25N4O6P MolecularWeight: 460.420161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=CC=C1)CNCC2=CC(=CC3=C2N=C(C(=N3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOP(=O)(CC1=CC=CC=C1)CNCC2=CC(=CC3=C2N=C(C(=N3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N4O6P/c1-4-31-32(28,13-15-8-6-5-7-9-15)14-22-12-16-10-17(25(26)27)11-18-19(16)24-21(30-3)20(23-18)29-2/h5-11,22H,4,12-14H2,1-3H3