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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(2-chloro-4-methylphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-[(3S)-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=C(C=C3)C)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-13-5-7-17(16(21)10-13)22-20(25)15-6-8-18(19(11-15)24(26)27)23-9-3-4-14(2)12-23/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,22,25)/t14-/m0/s1