N-(3,5-dimethoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(3,5-dimethoxyphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-14-5-4-8-23(13-14)19-7-6-15(9-20(19)24(26)27)21(25)22-16-10-17(28-2)12-18(11-16)29-3/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,22,25)/t14-/m0/s1