N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(1-oxidanylhexan-2-ylamino)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(1-oxidanylhexan-2-ylamino)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(hydroxymethyl)pentylamino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-hydroxyhexan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-hydroxyhexan-2-ylamino)-5-nitrobenzamide Traditional Name: 2-(1-methylolpentylamino)-5-nitro-N-piperonyl-benzamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25N3O6/c1-2-3-4-15(12-25)23-18-7-6-16(24(27)28)10-17(18)21(26)22-11-14-5-8-19-20(9-14)30-13-29-19/h5-10,15,23,25H,2-4,11-13H2,1H3,(H,22,26)