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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(1-oxidanylpropan-2-ylamino)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-hydroxy-1-methyl-ethyl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1-methyl-ethyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6/c1-11(9-22)20-15-4-3-13(21(24)25)7-14(15)18(23)19-8-12-2-5-16-17(6-12)27-10-26-16/h2-7,11,20,22H,8-10H2,1H3,(H,19,23)