ethyl 4-[[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCC)Br)O

InChI

InChI=1S/C21H19BrN2O5/c1-3-28-18-11-13(10-17(22)19(18)25)9-15(12-23)20(26)24-16-7-5-14(6-8-16)21(27)29-4-2/h5-11,25H,3-4H2,1-2H3,(H,24,26)/b15-9+