N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethoxy]phenyl]-3-nitro-benzamide CAS Name: N-[4-[2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethoxy]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethoxy]phenyl]-3-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O5/c1-15-5-3-6-16(2)24(15)21(26)14-30-20-11-9-18(10-12-20)23-22(27)17-7-4-8-19(13-17)25(28)29/h4,7-13,15-16H,3,5-6,14H2,1-2H3,(H,23,27)/t15-,16-/m1/s1