methyl 2-[[3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)Br)OC

InChI

InChI=1S/C20H17BrN2O5/c1-26-17-10-12(9-15(21)18(17)27-2)8-13(11-22)19(24)23-16-7-5-4-6-14(16)20(25)28-3/h4-10H,1-3H3,(H,23,24)