3-[(diethoxyphosphinothioylamino)-(4-nitrophenyl)methyl]but-3-en-2-one

Systemtic Name: 3-[(diethoxyphosphinothioylamino)-(4-nitrophenyl)methyl]but-3-en-2-one Openeye Name: 3-[(diethoxyphosphinothioylamino)-(4-nitrophenyl)methyl]but-3-en-2-one CAS Name: 3-[(diethoxyphosphinothioylamino)-(4-nitrophenyl)methyl]-3-buten-2-one IUPAC Name: 3-[(diethoxyphosphinothioylamino)-(4-nitrophenyl)methyl]but-3-en-2-one Traditional Name: 3-[(diethoxythiophosphorylamino)-(4-nitrophenyl)methyl]but-3-en-2-one Formula: C15H21N2O5PS MolecularWeight: 372.376401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(NC(C1=CC=C(C=C1)[N+](=O)[O-])C(=C)C(=O)C)OCC

Isomeric SMILES

CCOP(=S)(NC(C1=CC=C(C=C1)[N+](=O)[O-])C(=C)C(=O)C)OCC

InChI

InChI=1S/C15H21N2O5PS/c1-5-21-23(24,22-6-2)16-15(11(3)12(4)18)13-7-9-14(10-8-13)17(19)20/h7-10,15H,3,5-6H2,1-2,4H3,(H,16,24)