2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-5-nitro-benzamide CAS Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1-methylol-ethyl)amino]-5-nitro-N-veratryl-benzamide Formula: C19H23N3O7 MolecularWeight: 405.40182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7/c1-28-17-6-3-12(7-18(17)29-2)9-20-19(25)15-8-14(22(26)27)4-5-16(15)21-13(10-23)11-24/h3-8,13,21,23-24H,9-11H2,1-2H3,(H,20,25)