methyl 4-chloranyl-3-[[1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C

InChI

InChI=1S/C21H21ClN2O4/c1-12-5-4-6-18(13(12)2)24-11-15(10-19(24)25)20(26)23-17-9-14(21(27)28-3)7-8-16(17)22/h4-9,15H,10-11H2,1-3H3,(H,23,26)