[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 1-diphenylphosphorylcyclopropanecarboxylate CAS Name: 1-diphenylphosphoryl-1-cyclopropanecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Traditional Name: 1-diphenylphosphorylcyclopropanecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C25H22NO6P MolecularWeight: 463.419041

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1(C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22NO6P/c27-23(26-18-11-12-21-22(15-18)32-17-31-21)16-30-24(28)25(13-14-25)33(29,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15H,13-14,16-17H2,(H,26,27)