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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-chloranylbutan-2-ylamino)-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(chloromethyl)propylamino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-chlorobutan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-chlorobutan-2-ylamino)-5-nitrobenzamide Traditional Name: 2-[1-(chloromethyl)propylamino]-5-nitro-N-piperonyl-benzamide Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5/c1-2-13(9-20)22-16-5-4-14(23(25)26)8-15(16)19(24)21-10-12-3-6-17-18(7-12)28-11-27-17/h3-8,13,22H,2,9-11H2,1H3,(H,21,24)