(3S)-1-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-(2,6-dichloro-3-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,6-dichloro-3-methylphenyl)-2-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-(2,6-dichloro-3-methylphenyl)-2-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,6-dichloro-3-methyl-phenyl)-2-keto-pyrrolidine-3-carboxylate Formula: C12H10Cl2NO3- MolecularWeight: 287.1187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)N2CCC(C2=O)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)N2CC[C@@H](C2=O)C(=O)[O-])Cl

InChI

InChI=1S/C12H11Cl2NO3/c1-6-2-3-8(13)10(9(6)14)15-5-4-7(11(15)16)12(17)18/h2-3,7H,4-5H2,1H3,(H,17,18)/p-1/t7-/m0/s1