N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-4-dimethoxyphosphoryl-butanamide

Systemtic Name: N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-4-dimethoxyphosphoryl-butanamide Openeye Name: N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-4-dimethoxyphosphoryl-butanamide CAS Name: N-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methyl]-4-dimethoxyphosphorylbutanamide IUPAC Name: N-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methyl]-4-dimethoxyphosphorylbutanamide Traditional Name: N-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]-4-dimethoxyphosphoryl-butyramide Formula: C17H23N4O8P MolecularWeight: 442.360281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N4O8P/c1-26-16-17(27-2)20-15-11(8-12(21(23)24)9-13(15)19-16)10-18-14(22)6-5-7-30(25,28-3)29-4/h8-9H,5-7,10H2,1-4H3,(H,18,22)