4,5-dimethoxy-N-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[3-methyl-4-(2-oxo-1-piperidyl)phenyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[3-methyl-4-(2-oxo-1-piperidinyl)phenyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(2-ketopiperidino)-3-methyl-phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)N3CCCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)N3CCCCC3=O

InChI

InChI=1S/C21H23N3O6/c1-13-10-14(7-8-16(13)23-9-5-4-6-20(23)25)22-21(26)15-11-18(29-2)19(30-3)12-17(15)24(27)28/h7-8,10-12H,4-6,9H2,1-3H3,(H,22,26)