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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(4-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)N3CCC(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-])C

InChI

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