(2-benzamido-2-oxidanylidene-ethyl) 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c24-18(21-19(25)14-6-2-1-3-7-14)13-29-20(26)16-12-15(23(27)28)8-9-17(16)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,24,25)