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

Systemtic Name: [4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-2-ethoxy-phenyl] 3-bromobenzoate CAS Name: 3-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] 3-bromobenzoate Traditional Name: 3-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(=CC=C2)Br

Isomeric SMILES

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

InChI

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