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

Systemtic Name: ethyl 4-[(2-nitrophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate Openeye Name: ethyl 4-[(2-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate CAS Name: 4-[[(2-nitrophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl-(2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-2-30-21(27)15-9-11-16(12-10-15)23(14-22-13-5-8-19(22)25)20(26)17-6-3-4-7-18(17)24(28)29/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3