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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(2,5-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=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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