3-[[3-[3-bromanyl-4-[(4-bromophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[3-bromanyl-4-[(4-bromophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[3-bromo-4-(4-bromobenzyl)oxy-5-methoxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C25H18Br2N2O5 MolecularWeight: 586.22882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H18Br2N2O5/c1-33-22-11-16(10-21(27)23(22)34-14-15-5-7-19(26)8-6-15)9-18(13-28)24(30)29-20-4-2-3-17(12-20)25(31)32/h2-12H,14H2,1H3,(H,29,30)(H,31,32)