1,3-bis(2-nitrophenyl)-4-oxidanyl-butan-2-one

Systemtic Name: 1,3-bis(2-nitrophenyl)-4-oxidanyl-butan-2-one Openeye Name: 4-hydroxy-1,3-bis(2-nitrophenyl)butan-2-one CAS Name: 4-hydroxy-1,3-bis(2-nitrophenyl)-2-butanone IUPAC Name: 4-hydroxy-1,3-bis(2-nitrophenyl)butan-2-one Traditional Name: 4-hydroxy-1,3-bis(2-nitrophenyl)butan-2-one Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c19-10-13(12-6-2-4-8-15(12)18(23)24)16(20)9-11-5-1-3-7-14(11)17(21)22/h1-8,13,19H,9-10H2