[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NCCC#N)OCC#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NCCC#N)OCC#N

InChI

InChI=1S/C16H15N3O4/c17-8-1-10-19-15(20)12-23-16(21)7-4-13-2-5-14(6-3-13)22-11-9-18/h2-7H,1,10-12H2,(H,19,20)/b7-4+