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

Systemtic Name: (3-phenoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3-phenoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-phenoxybenzyl) ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O5/c27-24(19-11-12-22(23(16-19)26(28)29)25-13-4-5-14-25)30-17-18-7-6-10-21(15-18)31-20-8-2-1-3-9-20/h1-3,6-12,15-16H,4-5,13-14,17H2