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

Systemtic Name: butyl 4-[[3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[3-(5-bromo-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-(5-bromo-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(5-bromo-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid butyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N

InChI

InChI=1S/C21H19BrN2O4/c1-2-3-10-28-21(27)14-4-7-18(8-5-14)24-20(26)16(13-23)11-15-12-17(22)6-9-19(15)25/h4-9,11-12,25H,2-3,10H2,1H3,(H,24,26)