(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-propenoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)acrylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H16ClFO5 MolecularWeight: 402.800143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C=CC3=CC(=C(C=C3)OC)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)/C=C/C3=CC(=C(C=C3)OC)F)Cl

InChI

InChI=1S/C21H16ClFO5/c1-12-7-19-15(10-16(12)22)14(9-21(25)28-19)11-27-20(24)6-4-13-3-5-18(26-2)17(23)8-13/h3-10H,11H2,1-2H3/b6-4+