2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-[cyclobutylmethoxy-(3-methoxyphenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-[cyclobutylmethoxy-(3-methoxyphenyl)methyl]-5-nitro-benzamide Openeye Name: N-[cyclobutylmethoxy-(3-methoxyphenyl)methyl]-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-5-nitro-benzamide CAS Name: N-[cyclobutylmethoxy-(3-methoxyphenyl)methyl]-2-(1,3-dihydroxypropan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-[cyclobutylmethoxy-(3-methoxyphenyl)methyl]-2-(1,3-dihydroxypropan-2-ylamino)-5-nitrobenzamide Traditional Name: N-[cyclobutylmethoxy-(3-methoxyphenyl)methyl]-2-[(2-hydroxy-1-methylol-ethyl)amino]-5-nitro-benzamide Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(CO)CO)OCC3CCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(CO)CO)OCC3CCC3

InChI

InChI=1S/C23H29N3O7/c1-32-19-7-3-6-16(10-19)23(33-14-15-4-2-5-15)25-22(29)20-11-18(26(30)31)8-9-21(20)24-17(12-27)13-28/h3,6-11,15,17,23-24,27-28H,2,4-5,12-14H2,1H3,(H,25,29)