ethyl 4-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)OC)OCCO3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCCO3)/C#N

InChI

InChI=1S/C22H20N2O6/c1-3-28-22(26)15-4-6-17(7-5-15)24-21(25)16(13-23)10-14-11-18(27-2)20-19(12-14)29-8-9-30-20/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25)/b16-10+