4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde

Systemtic Name: 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N2O5/c1-11-4-3-5-12(2)17(11)16(20)10-23-15-7-6-13(9-19)8-14(15)18(21)22/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m0/s1