ethane; N-(4-nitrophenyl)-N-propan-2-yl-ethanamide; thiophosphate

Systemtic Name: ethane; N-(4-nitrophenyl)-N-propan-2-yl-ethanamide; thiophosphate Openeye Name: ethane; N-isopropyl-N-(4-nitrophenyl)acetamide; thiophosphate CAS Name: ethane; N-(4-nitrophenyl)-N-propan-2-ylacetamide; thiophosphate IUPAC Name: ethane; N-(4-nitrophenyl)-N-propan-2-ylacetamide; thiophosphate Traditional Name: ethane; N-isopropyl-N-(4-nitrophenyl)acetamide; thiophosphate Formula: C13H20N2O6PS-3 MolecularWeight: 363.346461

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC(C)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CC(C)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C11H14N2O3.C2H6.H3O3PS/c1-8(2)12(9(3)14)10-4-6-11(7-5-10)13(15)16;1-2;1-4(2,3)5/h4-8H,1-3H3;1-2H3;(H3,1,2,3,5)/p-3