2-cyano-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide

Systemtic Name: 2-cyano-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide Openeye Name: 2-cyano-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide CAS Name: 2-cyano-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide IUPAC Name: 2-cyano-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide Traditional Name: 2-cyano-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]acetamide Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)CC#N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)CC#N)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c13-6-5-11(17)14-10(7-16)12(18)8-1-3-9(4-2-8)15(19)20/h1-4,10,12,16,18H,5,7H2,(H,14,17)