N-(2,6-dimethylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(2,6-dimethylphenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(2,6-dimethylphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC=C3C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-14-6-5-11-23(13-14)18-10-9-17(12-19(18)24(26)27)21(25)22-20-15(2)7-4-8-16(20)3/h4,7-10,12,14H,5-6,11,13H2,1-3H3,(H,22,25)/t14-/m0/s1