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

Systemtic Name: N-[4-methoxy-3-(2-oxidanylidenepiperidin-1-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-methoxy-3-(2-oxo-1-piperidyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-methoxy-3-(2-oxo-1-piperidinyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(2-ketopiperidino)-4-methoxy-phenyl]-4-methyl-3-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-13-6-7-14(11-16(13)23(26)27)20(25)21-15-8-9-18(28-2)17(12-15)22-10-4-3-5-19(22)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,25)