3-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]benzaldehyde

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]benzaldehyde Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]benzaldehyde IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-(4-benzylpiperidino)-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c24-14-18-6-7-20(19(13-18)23(26)27)28-15-21(25)22-10-8-17(9-11-22)12-16-4-2-1-3-5-16/h1-7,13-14,17H,8-12,15H2