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

Systemtic Name: (2-nitrophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-nitrophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-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(27-12-14-5-1-2-6-15(14)20(23)24)13-7-8-16(17(11-13)21(25)26)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10,12H2