tert-butyl N-[2-[5-cyano-2-[(E)-2-diethoxyphosphoryloxyethenyl]phenoxy]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[5-cyano-2-[(E)-2-diethoxyphosphoryloxyethenyl]phenoxy]ethyl]carbamate Openeye Name: tert-butyl N-[2-[5-cyano-2-[(E)-2-diethoxyphosphoryloxyvinyl]phenoxy]ethyl]carbamate CAS Name: N-[2-[5-cyano-2-[(E)-2-diethoxyphosphoryloxyethenyl]phenoxy]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[5-cyano-2-[(E)-2-diethoxyphosphoryloxyethenyl]phenoxy]ethyl]carbamate Traditional Name: N-[2-[5-cyano-2-[(E)-2-diethoxyphosphoryloxyvinyl]phenoxy]ethyl]carbamic acid tert-butyl ester Formula: C20H29N2O7P MolecularWeight: 440.427221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC=CC1=C(C=C(C=C1)C#N)OCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOP(=O)(OCC)O/C=C/C1=C(C=C(C=C1)C#N)OCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N2O7P/c1-6-26-30(24,27-7-2)28-12-10-17-9-8-16(15-21)14-18(17)25-13-11-22-19(23)29-20(3,4)5/h8-10,12,14H,6-7,11,13H2,1-5H3,(H,22,23)/b12-10+