[2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitro-phenyl]-phenyl-methanone

Systemtic Name: [2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitro-phenyl]-phenyl-methanone Openeye Name: [2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitro-phenyl]-phenyl-methanone CAS Name: [2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitrophenyl]-phenylmethanone IUPAC Name: [2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitrophenyl]-phenylmethanone Traditional Name: [2-(3,5-dimethylol-1,2,4-triazol-4-yl)-5-nitro-phenyl]-phenyl-methanone Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3C(=NN=C3CO)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3C(=NN=C3CO)CO

InChI

InChI=1S/C17H14N4O5/c22-9-15-18-19-16(10-23)20(15)14-7-6-12(21(25)26)8-13(14)17(24)11-4-2-1-3-5-11/h1-8,22-23H,9-10H2