4-(2-hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(2-hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(2-hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(2-hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2-hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(2-hydroxyethyl)-3-(4-nitrobenzyl)-1H-1,2,4-triazol-5-one Formula: C11H12N4O4 MolecularWeight: 264.23738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NNC(=O)N2CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=NNC(=O)N2CCO)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4/c16-6-5-14-10(12-13-11(14)17)7-8-1-3-9(4-2-8)15(18)19/h1-4,16H,5-7H2,(H,13,17)