ethyl (Z)-2-cyano-5-methyl-3-[(E)-2-(4-oxidanylidenechromen-3-yl)ethenyl]hex-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-5-methyl-3-[(E)-2-(4-oxidanylidenechromen-3-yl)ethenyl]hex-2-enoate Openeye Name: ethyl (Z)-2-cyano-5-methyl-3-[(E)-2-(4-oxochromen-3-yl)vinyl]hex-2-enoate CAS Name: (Z)-2-cyano-5-methyl-3-[(E)-2-(4-oxo-1-benzopyran-3-yl)ethenyl]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-5-methyl-3-[(E)-2-(4-oxochromen-3-yl)ethenyl]hex-2-enoate Traditional Name: (2Z,4E)-2-cyano-3-isobutyl-5-(4-ketochromen-3-yl)penta-2,4-dienoic acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(CC(C)C)C=CC1=COC2=CC=CC=C2C1=O)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/CC(C)C)\C=C\C1=COC2=CC=CC=C2C1=O)/C#N

InChI

InChI=1S/C21H21NO4/c1-4-25-21(24)18(12-22)15(11-14(2)3)9-10-16-13-26-19-8-6-5-7-17(19)20(16)23/h5-10,13-14H,4,11H2,1-3H3/b10-9+,18-15+