ethane-1,2-diol; 1-(4-nitrophenyl)ethanone

Systemtic Name: ethane-1,2-diol; 1-(4-nitrophenyl)ethanone Openeye Name: ethylene glycol; 1-(4-nitrophenyl)ethanone CAS Name: ethane-1,2-diol; 1-(4-nitrophenyl)ethanone IUPAC Name: ethane-1,2-diol; 1-(4-nitrophenyl)ethanone Traditional Name: ethylene glycol; 1-(4-nitrophenyl)ethanone Formula: C10H13NO5 MolecularWeight: 227.21392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C(CO)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C(CO)O

InChI

InChI=1S/C8H7NO3.C2H6O2/c1-6(10)7-2-4-8(5-3-7)9(11)12;3-1-2-4/h2-5H,1H3;3-4H,1-2H2