(phenylmethyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (phenylmethyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: benzyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid benzyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4/c22-19(25-14-15-7-3-1-4-8-15)16-9-10-17(18(13-16)21(23)24)20-11-5-2-6-12-20/h1,3-4,7-10,13H,2,5-6,11-12,14H2