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

Systemtic Name: methyl 2-[[3-[3-bromanyl-5-ethoxy-4-(4-methoxyphenyl)carbonyloxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[3-[3-bromo-5-ethoxy-4-(4-methoxybenzoyl)oxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[3-[3-bromo-5-ethoxy-4-[(4-methoxyphenyl)-oxomethoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[3-bromo-5-ethoxy-4-(4-methoxybenzoyl)oxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[3-(3-bromo-5-ethoxy-4-p-anisoyloxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C28H23BrN2O7 MolecularWeight: 579.39542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)Br)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)Br)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H23BrN2O7/c1-4-37-24-15-17(14-22(29)25(24)38-27(33)18-9-11-20(35-2)12-10-18)13-19(16-30)26(32)31-23-8-6-5-7-21(23)28(34)36-3/h5-15H,4H2,1-3H3,(H,31,32)