4-azanyl-N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitro-benzamide

Systemtic Name: 4-azanyl-N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitro-benzamide Openeye Name: 4-amino-N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-2-methoxy-5-nitro-benzamide CAS Name: 4-amino-N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-2-methoxy-5-nitrobenzamide IUPAC Name: 4-amino-N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitrobenzamide Traditional Name: 4-amino-2-methoxy-5-nitro-N-(1-piperonyl-4-piperidyl)benzamide Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])N

InChI

InChI=1S/C21H24N4O6/c1-29-19-10-16(22)17(25(27)28)9-15(19)21(26)23-14-4-6-24(7-5-14)11-13-2-3-18-20(8-13)31-12-30-18/h2-3,8-10,14H,4-7,11-12,22H2,1H3,(H,23,26)