N-(1,3-benzodioxol-5-ylmethyl)-4-diethoxyphosphoryl-2-(3-nitrophenyl)-1,3-oxazol-5-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-diethoxyphosphoryl-2-(3-nitrophenyl)-1,3-oxazol-5-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-diethoxyphosphoryl-2-(3-nitrophenyl)oxazol-5-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-diethoxyphosphoryl-2-(3-nitrophenyl)-5-oxazolamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-diethoxyphosphoryl-2-(3-nitrophenyl)-1,3-oxazol-5-amine Traditional Name: [4-diethoxyphosphoryl-2-(3-nitrophenyl)oxazol-5-yl]-piperonyl-amine Formula: C21H22N3O8P MolecularWeight: 475.388441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOP(=O)(C1=C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C21H22N3O8P/c1-3-30-33(27,31-4-2)21-20(22-12-14-8-9-17-18(10-14)29-13-28-17)32-19(23-21)15-6-5-7-16(11-15)24(25)26/h5-11,22H,3-4,12-13H2,1-2H3