4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde

Systemtic Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N2O5/c1-11-5-12(2)8-17(7-11)16(20)10-23-15-4-3-13(9-19)6-14(15)18(21)22/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3/t11-,12-/m1/s1