1-[3-nitro-4,5-bis(oxidanyl)phenyl]-5-phenyl-pentan-1-one

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-5-phenyl-pentan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-5-phenyl-pentan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-5-phenyl-1-pentanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-5-phenylpentan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-5-phenyl-pentan-1-one Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c19-15(9-5-4-8-12-6-2-1-3-7-12)13-10-14(18(22)23)17(21)16(20)11-13/h1-3,6-7,10-11,20-21H,4-5,8-9H2