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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(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)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H16ClNO5 MolecularWeight: 409.81914

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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)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO5/c1-13-7-20-18(10-19(13)23)16(9-21(25)29-20)12-28-22(26)15(11-24)8-14-3-5-17(27-2)6-4-14/h3-10H,12H2,1-2H3/b15-8+