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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/C#N

InChI

InChI=1S/C21H18N2O6/c1-3-27-21(25)14-4-6-16(7-5-14)23-20(24)15(11-22)8-13-9-17(26-2)19-18(10-13)28-12-29-19/h4-10H,3,12H2,1-2H3,(H,23,24)/b15-8+