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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-13-3-2-8-22(11-13)16-6-4-14(9-17(16)23(25)26)20(24)21-15-5-7-18-19(10-15)28-12-27-18/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,21,24)/t13-/m0/s1