N-(3-ethanoylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-acetylphenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3-acetylphenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3-acetylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetylphenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-14-8-10-23(11-9-14)19-7-6-17(13-20(19)24(27)28)21(26)22-18-5-3-4-16(12-18)15(2)25/h3-7,12-14H,8-11H2,1-2H3,(H,22,26)