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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-14-4-3-11-23(13-14)19-10-7-17(12-20(19)24(27)28)21(26)22-18-8-5-16(6-9-18)15(2)25/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,26)