(4-methyl-2-oxidanylidene-chromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C24H21NO5/c1-3-4-11-28-19-7-5-17(6-8-19)13-18(15-25)24(27)29-20-9-10-21-16(2)12-23(26)30-22(21)14-20/h5-10,12-14H,3-4,11H2,1-2H3/b18-13+