(2R)-N-[ethoxy-(5-methyl-2-nitro-phenoxy)phosphinothioyl]butan-2-amine

Systemtic Name: (2R)-N-[ethoxy-(5-methyl-2-nitro-phenoxy)phosphinothioyl]butan-2-amine Openeye Name: (2R)-N-[ethoxy-(5-methyl-2-nitro-phenoxy)phosphinothioyl]butan-2-amine CAS Name: (2R)-N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]-2-butanamine IUPAC Name: (2R)-N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]butan-2-amine Traditional Name: [ethoxy-(5-methyl-2-nitro-phenoxy)thiophosphoryl]-[(1R)-1-methylpropyl]amine Formula: C13H21N2O4PS MolecularWeight: 332.355601

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C)N[P@@](=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)/t11-,20-/m1/s1