N-[(1E,4E)-1-(4-bromophenyl)-4-cyano-5-ethoxy-5-oxidanyl-3-oxidanylidene-penta-1,4-dien-2-yl]benzamide

Systemtic Name: N-[(1E,4E)-1-(4-bromophenyl)-4-cyano-5-ethoxy-5-oxidanyl-3-oxidanylidene-penta-1,4-dien-2-yl]benzamide Openeye Name: N-[(E,1E)-1-[(4-bromophenyl)methylene]-3-cyano-4-ethoxy-4-hydroxy-2-oxo-but-3-enyl]benzamide CAS Name: N-[(1E,4E)-1-(4-bromophenyl)-4-cyano-5-ethoxy-5-hydroxy-3-oxopenta-1,4-dien-2-yl]benzamide IUPAC Name: N-[(1E,4E)-1-(4-bromophenyl)-4-cyano-5-ethoxy-5-hydroxy-3-oxopenta-1,4-dien-2-yl]benzamide Traditional Name: N-[(E,1E)-1-(4-bromobenzylidene)-3-cyano-4-ethoxy-4-hydroxy-2-keto-but-3-enyl]benzamide Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)/C(=C\C1=CC=C(C=C1)Br)/NC(=O)C2=CC=CC=C2)/O

InChI

InChI=1S/C21H17BrN2O4/c1-2-28-21(27)17(13-23)19(25)18(12-14-8-10-16(22)11-9-14)24-20(26)15-6-4-3-5-7-15/h3-12,27H,2H2,1H3,(H,24,26)/b18-12+,21-17+