[4-[(Z)-2-cyanoethenyl]-2-methoxy-phenyl] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [4-[(Z)-2-cyanoethenyl]-2-methoxy-phenyl] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [4-[(Z)-2-cyanovinyl]-2-methoxy-phenyl] 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic acid [4-[(Z)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyanoethenyl]-2-methoxyphenyl] 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid [4-[(Z)-2-cyanovinyl]-2-methoxy-phenyl] ester Formula: C20H12BrNO5 MolecularWeight: 426.21698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC#N)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\C#N)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C20H12BrNO5/c1-25-18-9-12(3-2-8-22)4-6-17(18)27-20(24)15-11-13-10-14(21)5-7-16(13)26-19(15)23/h2-7,9-11H,1H3/b3-2-