ethyl 4-[[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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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)OCCO3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c1-2-26-21(25)15-4-6-17(7-5-15)23-20(24)16(13-22)11-14-3-8-18-19(12-14)28-10-9-27-18/h3-8,11-12H,2,9-10H2,1H3,(H,23,24)/b16-11+