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

Systemtic Name: methyl 4-[[3-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[3-(2-bromo-5-ethoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-(2-bromo-5-ethoxy-4-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-bromo-5-ethoxy-4-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(2-bromo-5-ethoxy-4-propoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC)OCC

InChI

InChI=1S/C23H23BrN2O5/c1-4-10-31-21-13-19(24)16(12-20(21)30-5-2)11-17(14-25)22(27)26-18-8-6-15(7-9-18)23(28)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,26,27)