prop-2-enyl (E)-3-[4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-[4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: allyl (E)-3-[4-[2-(4-bromoanilino)-2-oxo-ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(4-bromoanilino)-2-keto-ethoxy]-3-methoxy-phenyl]-2-cyano-acrylic acid allyl ester Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC=C)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H19BrN2O5/c1-3-10-29-22(27)16(13-24)11-15-4-9-19(20(12-15)28-2)30-14-21(26)25-18-7-5-17(23)6-8-18/h3-9,11-12H,1,10,14H2,2H3,(H,25,26)/b16-11+