ethyl (E,4E)-2-cyano-4-[1-(1-ethoxy-1-oxidanylidene-butan-2-yl)pyridin-2-ylidene]but-2-enoate

Systemtic Name: ethyl (E,4E)-2-cyano-4-[1-(1-ethoxy-1-oxidanylidene-butan-2-yl)pyridin-2-ylidene]but-2-enoate Openeye Name: ethyl (E,4E)-2-cyano-4-[1-(1-ethoxycarbonylpropyl)-2-pyridylidene]but-2-enoate CAS Name: (E,4E)-2-cyano-4-[1-(1-ethoxy-1-oxobutan-2-yl)-2-pyridinylidene]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E,4E)-2-cyano-4-[1-(1-ethoxy-1-oxobutan-2-yl)pyridin-2-ylidene]but-2-enoate Traditional Name: (E,4E)-4-[1-(1-carbethoxypropyl)-2-pyridylidene]-2-cyano-but-2-enoic acid ethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C=CC=CC1=CC=C(C#N)C(=O)OCC

Isomeric SMILES

CCC(C(=O)OCC)N\1C=CC=C/C1=C\C=C(/C#N)\C(=O)OCC

InChI

InChI=1S/C18H22N2O4/c1-4-16(18(22)24-6-3)20-12-8-7-9-15(20)11-10-14(13-19)17(21)23-5-2/h7-12,16H,4-6H2,1-3H3/b14-10+,15-11+