nonyl (2Z)-2-[(2-cyanophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: nonyl (2Z)-2-[(2-cyanophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: nonyl (2Z)-2-[(2-cyanophenyl)methylene]-3-oxo-butanoate CAS Name: (2Z)-2-[(2-cyanophenyl)methylidene]-3-oxobutanoic acid nonyl ester IUPAC Name: nonyl (2Z)-2-[(2-cyanophenyl)methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-(2-cyanophenyl)acrylic acid nonyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C(=CC1=CC=CC=C1C#N)C(=O)C

Isomeric SMILES

CCCCCCCCCOC(=O)/C(=C\C1=CC=CC=C1C#N)/C(=O)C

InChI

InChI=1S/C21H27NO3/c1-3-4-5-6-7-8-11-14-25-21(24)20(17(2)23)15-18-12-9-10-13-19(18)16-22/h9-10,12-13,15H,3-8,11,14H2,1-2H3/b20-15-