2-[2-(4-chlorophenyl)ethanoyloxycarbonyl]-4-cyano-butanoate

Systemtic Name: 2-[2-(4-chlorophenyl)ethanoyloxycarbonyl]-4-cyano-butanoate Openeye Name: 2-[2-(4-chlorophenyl)acetyl]oxycarbonyl-4-cyano-butanoate CAS Name: 2-[[2-(4-chlorophenyl)-1-oxoethoxy]-oxomethyl]-4-cyanobutanoate IUPAC Name: 2-[2-(4-chlorophenyl)acetyl]oxycarbonyl-4-cyanobutanoate Traditional Name: 2-[2-(4-chlorophenyl)acetyl]oxycarbonyl-4-cyano-butyrate Formula: C14H11ClNO5- MolecularWeight: 308.69384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)OC(=O)C(CCC#N)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)OC(=O)C(CCC#N)C(=O)[O-])Cl

InChI

InChI=1S/C14H12ClNO5/c15-10-5-3-9(4-6-10)8-12(17)21-14(20)11(13(18)19)2-1-7-16/h3-6,11H,1-2,8H2,(H,18,19)/p-1