[2-(diphenoxyphosphorylmethylamino)-3-nitro-phenyl]methyl ethanimidothioate

Systemtic Name: [2-(diphenoxyphosphorylmethylamino)-3-nitro-phenyl]methyl ethanimidothioate Openeye Name: [2-(diphenoxyphosphorylmethylamino)-3-nitro-phenyl]methyl ethanimidothioate CAS Name: ethanimidothioic acid [2-(diphenoxyphosphorylmethylamino)-3-nitrophenyl]methyl ester IUPAC Name: [2-(diphenoxyphosphorylmethylamino)-3-nitrophenyl]methyl ethanimidothioate Traditional Name: thioacetimidic acid [2-(diphenoxyphosphorylmethylamino)-3-nitro-benzyl] ester Formula: C22H22N3O5PS MolecularWeight: 471.465941

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)SCC1=C(C(=CC=C1)[N+](=O)[O-])NCP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=N)SCC1=C(C(=CC=C1)[N+](=O)[O-])NCP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H22N3O5PS/c1-17(23)32-15-18-9-8-14-21(25(26)27)22(18)24-16-31(28,29-19-10-4-2-5-11-19)30-20-12-6-3-7-13-20/h2-14,23-24H,15-16H2,1H3