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

Systemtic Name: [4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(2-cyano-3-keto-3-methoxy-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C19H14BrNO5 MolecularWeight: 416.22216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H14BrNO5/c1-24-17-10-12(9-14(11-21)18(22)25-2)3-8-16(17)26-19(23)13-4-6-15(20)7-5-13/h3-10H,1-2H3