[4-[2,3-bis(oxidanyl)propoxy]phenyl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[2,3-bis(oxidanyl)propoxy]phenyl]-(4-nitrophenyl)methanone Openeye Name: [4-(2,3-dihydroxypropoxy)phenyl]-(4-nitrophenyl)methanone CAS Name: [4-(2,3-dihydroxypropoxy)phenyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydroxypropoxy)phenyl]-(4-nitrophenyl)methanone Traditional Name: (4-glyceryloxyphenyl)-(4-nitrophenyl)methanone Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)OCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)OCC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6/c18-9-14(19)10-23-15-7-3-12(4-8-15)16(20)11-1-5-13(6-2-11)17(21)22/h1-8,14,18-19H,9-10H2