N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-ethyl-3-nitro-4-piperidino-N-piperonyl-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-23(14-16-6-9-20-21(12-16)30-15-29-20)22(26)17-7-8-18(19(13-17)25(27)28)24-10-4-3-5-11-24/h6-9,12-13H,2-5,10-11,14-15H2,1H3