2-cyanoethyl (2E)-2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-cyanoethyl (2E)-2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-cyanoethyl (2E)-2-[(3-chlorophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-chlorophenyl)methylidene]-3-oxobutanoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (2E)-2-[(3-chlorophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-chlorophenyl)acrylic acid 2-cyanoethyl ester Formula: C14H12ClNO3 MolecularWeight: 277.70298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)Cl)C(=O)OCCC#N

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)Cl)/C(=O)OCCC#N

InChI

InChI=1S/C14H12ClNO3/c1-10(17)13(14(18)19-7-3-6-16)9-11-4-2-5-12(15)8-11/h2,4-5,8-9H,3,7H2,1H3/b13-9+