[(3E)-2-(4-chlorophenyl)-1-cyano-3-(2-oxidanylideneethylidene)pyrrolidin-2-yl] hydrogen carbonate

Systemtic Name: [(3E)-2-(4-chlorophenyl)-1-cyano-3-(2-oxidanylideneethylidene)pyrrolidin-2-yl] hydrogen carbonate Openeye Name: [(3E)-2-(4-chlorophenyl)-1-cyano-3-(2-oxoethylidene)pyrrolidin-2-yl] hydrogen carbonate CAS Name: carbonic acid [(3E)-2-(4-chlorophenyl)-1-cyano-3-(2-oxoethylidene)-2-pyrrolidinyl] ester IUPAC Name: [(3E)-2-(4-chlorophenyl)-1-cyano-3-(2-oxoethylidene)pyrrolidin-2-yl] hydrogen carbonate Traditional Name: carbonic acid [(3E)-2-(4-chlorophenyl)-1-cyano-3-(2-ketoethylidene)pyrrolidin-2-yl] ester Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1=CC=O)(C2=CC=C(C=C2)Cl)OC(=O)O)C#N

Isomeric SMILES

C\1CN(C(/C1=C/C=O)(C2=CC=C(C=C2)Cl)OC(=O)O)C#N

InChI

InChI=1S/C14H11ClN2O4/c15-12-3-1-10(2-4-12)14(21-13(19)20)11(6-8-18)5-7-17(14)9-16/h1-4,6,8H,5,7H2,(H,19,20)/b11-6+