N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)-5-nitrobenzamide Traditional Name: 2-(tert-butylamino)-5-nitro-N-piperonyl-benzamide Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-19(2,3)21-15-6-5-13(22(24)25)9-14(15)18(23)20-10-12-4-7-16-17(8-12)27-11-26-16/h4-9,21H,10-11H2,1-3H3,(H,20,23)