(4-bromophenyl) 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-bromophenyl) 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-bromophenyl) 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (4-bromophenyl) ester Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O4/c18-12-3-6-14(7-4-12)24-17(21)15-11-13(20(22)23)5-8-16(15)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2