[3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [3-(2,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C27H19NO5 MolecularWeight: 437.44346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C(=CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)/C(=C/C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H19NO5/c1-17-8-9-18(2)23(12-17)33-25-16-31-24-14-21(10-11-22(24)26(25)29)32-27(30)20(15-28)13-19-6-4-3-5-7-19/h3-14,16H,1-2H3/b20-13+