(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-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-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]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)OCC#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO5/c1-14-10-20-18(12-19(14)23)16(11-22(26)29-20)13-28-21(25)7-4-15-2-5-17(6-3-15)27-9-8-24/h2-7,10-12H,9,13H2,1H3/b7-4+