[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [4-[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic acid [4-[(E)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid [4-[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H19BrN2O7 MolecularWeight: 539.33156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C25H19BrN2O7/c1-32-22-11-15(10-17(14-27)23(29)28-6-8-33-9-7-28)2-4-21(22)35-25(31)19-13-16-12-18(26)3-5-20(16)34-24(19)30/h2-5,10-13H,6-9H2,1H3/b17-10+