[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl-(phenylmethyl)phosphinic acid

Systemtic Name: [(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl-(phenylmethyl)phosphinic acid Openeye Name: benzyl-[[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl]phosphinic acid CAS Name: [(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methylamino]methyl-(phenylmethyl)phosphinic acid IUPAC Name: benzyl-[[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methylamino]methyl]phosphinic acid Traditional Name: benzyl-[[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]methyl]phosphinic acid Formula: C19H21N4O6P MolecularWeight: 432.367001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N4O6P/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/h3-9,20H,10-12H2,1-2H3,(H,26,27)