ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate Openeye Name: ethyl 4-[(4-chloro-3-nitro-benzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate CAS Name: 4-[[(4-chloro-3-nitrophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)-[(2-ketopyrrolidino)methyl]amino]benzoic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O6/c1-2-31-21(28)14-5-8-16(9-6-14)24(13-23-11-3-4-19(23)26)20(27)15-7-10-17(22)18(12-15)25(29)30/h5-10,12H,2-4,11,13H2,1H3