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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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