(3-nitrophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-nitrophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3-nitrophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-nitrobenzyl) ester Formula: C18H17N3O6 MolecularWeight: 371.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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