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

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-[(4-chloranyl-3-methoxy-phenyl)methyl]-5-nitro-benzamide Openeye Name: N-[(4-chloro-3-methoxy-phenyl)methyl]-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-5-nitro-benzamide CAS Name: N-[(4-chloro-3-methoxyphenyl)methyl]-2-(1,3-dihydroxypropan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-[(4-chloro-3-methoxyphenyl)methyl]-2-(1,3-dihydroxypropan-2-ylamino)-5-nitrobenzamide Traditional Name: N-(4-chloro-3-methoxy-benzyl)-2-[(2-hydroxy-1-methylol-ethyl)amino]-5-nitro-benzamide Formula: C18H20ClN3O6 MolecularWeight: 409.8209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6/c1-28-17-6-11(2-4-15(17)19)8-20-18(25)14-7-13(22(26)27)3-5-16(14)21-12(9-23)10-24/h2-7,12,21,23-24H,8-10H2,1H3,(H,20,25)