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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O)OC)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O)OC)/C#N

InChI

InChI=1S/C24H20N2O6/c1-3-10-26-22(27)17(14-25)11-15-8-9-20(21(12-15)30-2)32-24(29)18-13-16-6-4-5-7-19(16)31-23(18)28/h4-9,11-13H,3,10H2,1-2H3,(H,26,27)/b17-11+