N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dihydroxypropan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dihydroxypropan-2-ylamino)-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1-methylol-ethyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(CO)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(CO)CO

InChI

InChI=1S/C18H19N3O7/c22-8-12(9-23)20-15-3-2-13(21(25)26)6-14(15)18(24)19-7-11-1-4-16-17(5-11)28-10-27-16/h1-6,12,20,22-23H,7-10H2,(H,19,24)