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

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

Isomeric SMILES

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

InChI

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