(E)-4-di(propan-2-yloxy)phosphoryl-5-(4-methylpentylamino)non-4-enenitrile

Systemtic Name: (E)-4-di(propan-2-yloxy)phosphoryl-5-(4-methylpentylamino)non-4-enenitrile Openeye Name: (E)-4-diisopropoxyphosphoryl-5-(isohexylamino)non-4-enenitrile CAS Name: (E)-4-di(propan-2-yloxy)phosphoryl-5-(4-methylpentylamino)-4-nonenenitrile IUPAC Name: (E)-4-di(propan-2-yloxy)phosphoryl-5-(4-methylpentylamino)non-4-enenitrile Traditional Name: (E)-4-diisopropoxyphosphoryl-5-(isohexylamino)non-4-enenitrile Formula: C21H41N2O3P MolecularWeight: 400.535601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(CCC#N)P(=O)(OC(C)C)OC(C)C)NCCCC(C)C

Isomeric SMILES

CCCC/C(=C(/CCC#N)\P(=O)(OC(C)C)OC(C)C)/NCCCC(C)C

InChI

InChI=1S/C21H41N2O3P/c1-8-9-13-20(23-16-11-12-17(2)3)21(14-10-15-22)27(24,25-18(4)5)26-19(6)7/h17-19,23H,8-14,16H2,1-7H3/b21-20+