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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(1-oxidanylbutan-2-ylamino)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(hydroxymethyl)propylamino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-hydroxybutan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-hydroxybutan-2-ylamino)-5-nitrobenzamide Traditional Name: 2-(1-methylolpropylamino)-5-nitro-N-piperonyl-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6/c1-2-13(10-23)21-16-5-4-14(22(25)26)8-15(16)19(24)20-9-12-3-6-17-18(7-12)28-11-27-17/h3-8,13,21,23H,2,9-11H2,1H3,(H,20,24)