butane; [(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl-(phenylmethyl)phosphinate

Systemtic Name: butane; [(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl-(phenylmethyl)phosphinate Openeye Name: benzyl-[[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl]phosphinate; butane CAS Name: butane; [(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methylamino]methyl-(phenylmethyl)phosphinate IUPAC Name: benzyl-[[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methylamino]methyl]phosphinate; butane Traditional Name: benzyl-[[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl]phosphinate; n-butane Formula: C23H30N4O6P- MolecularWeight: 489.481261

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])CNCP(=O)(CC3=CC=CC=C3)[O-])N=C1OC

Isomeric SMILES

CCCC.COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])CNCP(=O)(CC3=CC=CC=C3)[O-])N=C1OC

InChI

InChI=1S/C19H21N4O6P.C4H10/c1-28-18-19(29-2)22-17-14(8-15(23(24)25)9-16(17)21-18)10-20-12-30(26,27)11-13-6-4-3-5-7-13;1-3-4-2/h3-9,20H,10-12H2,1-2H3,(H,26,27);3-4H2,1-2H3/p-1