N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-N'-(1-oxidanylhexan-2-yl)benzohydrazide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-N'-(1-oxidanylhexan-2-yl)benzohydrazide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[1-(hydroxymethyl)pentyl]-3-nitro-benzohydrazide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-hydroxyhexan-2-yl)-3-nitrobenzohydrazide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-hydroxyhexan-2-yl)-3-nitrobenzohydrazide Traditional Name: N'-(1-methylolpentyl)-3-nitro-N-piperonyl-benzohydrazide Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CO)NN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CO)NN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-2-3-6-17(13-25)22-23(12-15-8-9-19-20(10-15)30-14-29-19)21(26)16-5-4-7-18(11-16)24(27)28/h4-5,7-11,17,22,25H,2-3,6,12-14H2,1H3