N-[ethoxy-(3-methyl-4-nitro-phenoxy)phosphinothioyl]butan-2-amine

Systemtic Name: N-[ethoxy-(3-methyl-4-nitro-phenoxy)phosphinothioyl]butan-2-amine Openeye Name: N-[ethoxy-(3-methyl-4-nitro-phenoxy)phosphinothioyl]butan-2-amine CAS Name: N-[ethoxy-(3-methyl-4-nitrophenoxy)phosphinothioyl]-2-butanamine IUPAC Name: N-[ethoxy-(3-methyl-4-nitrophenoxy)phosphinothioyl]butan-2-amine Traditional Name: [ethoxy-(3-methyl-4-nitro-phenoxy)thiophosphoryl]-sec-butyl-amine Formula: C13H21N2O4PS MolecularWeight: 332.355601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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