[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methyl-3-furyl)-3-oxo-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-2-cyano-3-(2-methyl-3-furanyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methyl-3-furyl)prop-1-enyl]phenyl] ester Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)/C#N

InChI

InChI=1S/C25H21NO7/c1-15-20(9-10-32-15)23(27)18(14-26)11-16-5-7-19(8-6-16)33-25(28)17-12-21(29-2)24(31-4)22(13-17)30-3/h5-13H,1-4H3/b18-11+