N-(4-bromanyl-3-methyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3/c1-13-7-9-23(10-8-13)18-6-3-15(12-19(18)24(26)27)20(25)22-16-4-5-17(21)14(2)11-16/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)