(4-nitrophenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-nitrophenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (4-nitrobenzyl) ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c22-18(27-12-13-3-5-14(6-4-13)20(23)24)16-11-15(21(25)26)7-8-17(16)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12H2