N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-1-oxidanyl-butan-2-yl)amino]-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-1-oxidanyl-butan-2-yl)amino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(2-methyl-1-methylol-propyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C20H23N3O6 MolecularWeight: 401.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-12(2)17(10-24)22-16-5-4-14(23(26)27)8-15(16)20(25)21-9-13-3-6-18-19(7-13)29-11-28-18/h3-8,12,17,22,24H,9-11H2,1-2H3,(H,21,25)