ethyl 3-nitro-5-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(2-oxo-1-pyrrolidinyl)anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate Traditional Name: 3-[[3-(2-ketopyrrolidino)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-2-29-20(26)14-9-13(10-17(11-14)23(27)28)19(25)21-15-5-3-6-16(12-15)22-8-4-7-18(22)24/h3,5-6,9-12H,2,4,7-8H2,1H3,(H,21,25)