ethyl 4-[(4-nitrophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(4-nitrophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate Openeye Name: ethyl 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate CAS Name: 4-[[(4-nitrophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl-(4-nitrobenzoyl)amino]benzoic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-2-30-21(27)16-7-9-17(10-8-16)23(14-22-13-3-4-19(22)25)20(26)15-5-11-18(12-6-15)24(28)29/h5-12H,2-4,13-14H2,1H3