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

Systemtic Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [4-[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-oxochromene-3-carboxylate CAS Name: 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] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [4-[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H20N2O7 MolecularWeight: 460.4355

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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=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H20N2O7/c1-31-22-13-16(12-18(15-26)23(28)27-8-10-32-11-9-27)6-7-21(22)34-25(30)19-14-17-4-2-3-5-20(17)33-24(19)29/h2-7,12-14H,8-11H2,1H3/b18-12+