(E)-4-diphenoxyphosphoryl-3-methyl-4-oxidanyl-but-2-enenitrile

Systemtic Name: (E)-4-diphenoxyphosphoryl-3-methyl-4-oxidanyl-but-2-enenitrile Openeye Name: (E)-4-diphenoxyphosphoryl-4-hydroxy-3-methyl-but-2-enenitrile CAS Name: (E)-4-diphenoxyphosphoryl-4-hydroxy-3-methyl-2-butenenitrile IUPAC Name: (E)-4-diphenoxyphosphoryl-4-hydroxy-3-methylbut-2-enenitrile Traditional Name: (E)-4-diphenoxyphosphoryl-4-hydroxy-3-methyl-but-2-enenitrile Formula: C17H16NO4P MolecularWeight: 329.287001

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)C(O)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

C/C(=C\C#N)/C(O)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C17H16NO4P/c1-14(12-13-18)17(19)23(20,21-15-8-4-2-5-9-15)22-16-10-6-3-7-11-16/h2-12,17,19H,1H3/b14-12+