N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3Cl)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3Cl)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O3/c1-13-6-8-24(9-7-13)18-5-4-16(12-19(18)25(27)28)21(26)23-20-15(3)10-14(2)11-17(20)22/h4-5,10-13H,6-9H2,1-3H3,(H,23,26)