cyclopentyl (2E)-2-[(3-chloranyl-2-cyano-phenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: cyclopentyl (2E)-2-[(3-chloranyl-2-cyano-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: cyclopentyl (2E)-2-[(3-chloro-2-cyano-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-chloro-2-cyanophenyl)methylidene]-3-oxobutanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2E)-2-[(3-chloro-2-cyanophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-chloro-2-cyano-phenyl)acrylic acid cyclopentyl ester Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C(C(=CC=C1)Cl)C#N)C(=O)OC2CCCC2

Isomeric SMILES

CC(=O)/C(=C\C1=C(C(=CC=C1)Cl)C#N)/C(=O)OC2CCCC2

InChI

InChI=1S/C17H16ClNO3/c1-11(20)14(17(21)22-13-6-2-3-7-13)9-12-5-4-8-16(18)15(12)10-19/h4-5,8-9,13H,2-3,6-7H2,1H3/b14-9+