N-(5-chloranyl-2-methyl-phenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(5-chloro-2-methylphenyl)-4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-[(3R)-3-methylpiperidino]-3-nitro-benzamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3/c1-13-4-3-9-23(12-13)18-8-6-15(10-19(18)24(26)27)20(25)22-17-11-16(21)7-5-14(17)2/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,25)/t13-/m1/s1