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

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-[(3-methoxy-4-methyl-phenyl)methyl]-5-nitro-benzamide Openeye Name: 2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-N-[(3-methoxy-4-methyl-phenyl)methyl]-5-nitro-benzamide CAS Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-[(3-methoxy-4-methylphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-[(3-methoxy-4-methylphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1-methylol-ethyl)amino]-N-(3-methoxy-4-methyl-benzyl)-5-nitro-benzamide Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(CO)CO)OC

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(CO)CO)OC

InChI

InChI=1S/C19H23N3O6/c1-12-3-4-13(7-18(12)28-2)9-20-19(25)16-8-15(22(26)27)5-6-17(16)21-14(10-23)11-24/h3-8,14,21,23-24H,9-11H2,1-2H3,(H,20,25)