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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3Cl)C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3Cl)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O3/c1-13-5-4-8-24(12-13)18-7-6-16(11-19(18)25(27)28)21(26)23-20-15(3)9-14(2)10-17(20)22/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,23,26)/t13-/m1/s1