N-(2-ethyl-6-methyl-phenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N3O3/c1-4-17-9-5-8-16(3)21(17)23-22(26)18-10-11-19(20(13-18)25(27)28)24-12-6-7-15(2)14-24/h5,8-11,13,15H,4,6-7,12,14H2,1-3H3,(H,23,26)