[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 4-bromanylbenzoate

Systemtic Name: [4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-2-ethoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-2-ethoxy-phenyl] ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO5/c1-3-26-19-12-14(11-16(13-23)20(24)27-4-2)5-10-18(19)28-21(25)15-6-8-17(22)9-7-15/h5-12H,3-4H2,1-2H3