2-(1,3-benzodioxol-5-yl)-2-(diphenylphosphorylamino)propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(diphenylphosphorylamino)propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(diphenylphosphorylamino)propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(diphenylphosphorylamino)propanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(diphenylphosphorylamino)propanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(diphenylphosphorylamino)propionitrile Formula: C22H19N2O3P MolecularWeight: 390.371621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC2=C(C=C1)OCO2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C#N)(C1=CC2=C(C=C1)OCO2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N2O3P/c1-22(15-23,17-12-13-20-21(14-17)27-16-26-20)24-28(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14H,16H2,1H3,(H,24,25)