(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c21-16(19-9-3-4-10-19)12-25-17(22)13-5-6-14(15(11-13)20(23)24)18-7-1-2-8-18/h5-6,11H,1-4,7-10,12H2