(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H17BrO4 MolecularWeight: 413.26128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H17BrO4/c1-13-3-9-18-16(11-20(24)26-21(18)14(13)2)12-25-19(23)10-6-15-4-7-17(22)8-5-15/h3-11H,12H2,1-2H3/b10-6+