1-[2-nitro-3,4-bis(oxidanyl)phenyl]-4-phenyl-butan-1-one

Systemtic Name: 1-[2-nitro-3,4-bis(oxidanyl)phenyl]-4-phenyl-butan-1-one Openeye Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-4-phenyl-butan-1-one CAS Name: 1-(3,4-dihydroxy-2-nitrophenyl)-4-phenyl-1-butanone IUPAC Name: 1-(3,4-dihydroxy-2-nitrophenyl)-4-phenylbutan-1-one Traditional Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-4-phenyl-butan-1-one Formula: C16H15NO5 MolecularWeight: 301.294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c18-13(8-4-7-11-5-2-1-3-6-11)12-9-10-14(19)16(20)15(12)17(21)22/h1-3,5-6,9-10,19-20H,4,7-8H2