2-(2-acetamido-2-oxidanyl-ethyl)-5-[(4-nitrophenyl)methyl]benzoate

Systemtic Name: 2-(2-acetamido-2-oxidanyl-ethyl)-5-[(4-nitrophenyl)methyl]benzoate Openeye Name: 2-(2-acetamido-2-hydroxy-ethyl)-5-[(4-nitrophenyl)methyl]benzoate CAS Name: 2-(2-acetamido-2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]benzoate IUPAC Name: 2-(2-acetamido-2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]benzoate Traditional Name: 2-(2-acetamido-2-hydroxy-ethyl)-5-(4-nitrobenzyl)benzoate Formula: C18H17N2O6- MolecularWeight: 357.33738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])O

Isomeric SMILES

CC(=O)NC(CC1=C(C=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])O

InChI

InChI=1S/C18H18N2O6/c1-11(21)19-17(22)10-14-5-2-13(9-16(14)18(23)24)8-12-3-6-15(7-4-12)20(25)26/h2-7,9,17,22H,8,10H2,1H3,(H,19,21)(H,23,24)/p-1