N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O5/c1-13-5-4-8-24(12-13)17-7-6-14(9-18(17)25(27)28)21(26)23-16-11-19(29-2)15(22)10-20(16)30-3/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,23,26)/t13-/m0/s1