4-(2-azanyl-1-diphenoxyphosphoryl-ethyl)benzenecarbonitrile

Systemtic Name: 4-(2-azanyl-1-diphenoxyphosphoryl-ethyl)benzenecarbonitrile Openeye Name: 4-(2-amino-1-diphenoxyphosphoryl-ethyl)benzonitrile CAS Name: 4-(2-amino-1-diphenoxyphosphorylethyl)benzonitrile IUPAC Name: 4-(2-amino-1-diphenoxyphosphorylethyl)benzonitrile Traditional Name: 4-(2-amino-1-diphenoxyphosphoryl-ethyl)benzonitrile Formula: C21H19N2O3P MolecularWeight: 378.360921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(CN)C2=CC=C(C=C2)C#N)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(CN)C2=CC=C(C=C2)C#N)OC3=CC=CC=C3

InChI

InChI=1S/C21H19N2O3P/c22-15-17-11-13-18(14-12-17)21(16-23)27(24,25-19-7-3-1-4-8-19)26-20-9-5-2-6-10-20/h1-14,21H,16,23H2