4-diethoxyphosphoryl-2-[(4-nitrophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine

Systemtic Name: 4-diethoxyphosphoryl-2-[(4-nitrophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine Openeye Name: 4-diethoxyphosphoryl-2-[(4-nitrophenyl)methyl]-N-(3-pyridylmethyl)oxazol-5-amine CAS Name: 4-diethoxyphosphoryl-2-[(4-nitrophenyl)methyl]-N-(3-pyridinylmethyl)-5-oxazolamine IUPAC Name: 4-diethoxyphosphoryl-2-[(4-nitrophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine Traditional Name: [4-diethoxyphosphoryl-2-(4-nitrobenzyl)oxazol-5-yl]-(3-pyridylmethyl)amine Formula: C20H23N4O6P MolecularWeight: 446.393581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(OC(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(C1=C(OC(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)OCC

InChI

InChI=1S/C20H23N4O6P/c1-3-28-31(27,29-4-2)20-19(22-14-16-6-5-11-21-13-16)30-18(23-20)12-15-7-9-17(10-8-15)24(25)26/h5-11,13,22H,3-4,12,14H2,1-2H3