[3-cyano-4-[[4-(diethoxyphosphorylmethyl)phenyl]carbonylamino]phenyl] ethanoate

Systemtic Name: [3-cyano-4-[[4-(diethoxyphosphorylmethyl)phenyl]carbonylamino]phenyl] ethanoate Openeye Name: [3-cyano-4-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]phenyl] acetate CAS Name: acetic acid [3-cyano-4-[[[4-(diethoxyphosphorylmethyl)phenyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [3-cyano-4-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]phenyl] acetate Traditional Name: acetic acid [3-cyano-4-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]phenyl] ester Formula: C21H23N2O6P MolecularWeight: 430.390881

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC(=O)C)C#N)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC(=O)C)C#N)OCC

InChI

InChI=1S/C21H23N2O6P/c1-4-27-30(26,28-5-2)14-16-6-8-17(9-7-16)21(25)23-20-11-10-19(29-15(3)24)12-18(20)13-22/h6-12H,4-5,14H2,1-3H3,(H,23,25)