3-nitro-4-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]oxy-benzaldehyde

Systemtic Name: 3-nitro-4-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]oxy-benzaldehyde Openeye Name: 4-[(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]oxybenzaldehyde IUPAC Name: 4-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzaldehyde Traditional Name: 4-[(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethoxy]-3-nitro-benzaldehyde Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-16(29-21-8-7-19(15-25)14-20(21)24(27)28)22(26)23-11-9-18(10-12-23)13-17-5-3-2-4-6-17/h2-8,14-16,18H,9-13H2,1H3/t16-/m1/s1