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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-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-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H14ClNO4 MolecularWeight: 379.79316

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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)C#N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)/C=C/C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H14ClNO4/c1-13-8-19-17(10-18(13)22)16(9-21(25)27-19)12-26-20(24)7-6-14-2-4-15(11-23)5-3-14/h2-10H,12H2,1H3/b7-6+