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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (2-benzamido-2-oxo-ethyl) (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)OCC#N

InChI

InChI=1S/C21H18N2O6/c1-27-18-13-15(7-9-17(18)28-12-11-22)8-10-20(25)29-14-19(24)23-21(26)16-5-3-2-4-6-16/h2-10,13H,12,14H2,1H3,(H,23,24,26)/b10-8+