1-[5-nitro-6,7-bis(oxidanyl)naphthalen-2-yl]heptan-1-one

Systemtic Name: 1-[5-nitro-6,7-bis(oxidanyl)naphthalen-2-yl]heptan-1-one Openeye Name: 1-(6,7-dihydroxy-5-nitro-2-naphthyl)heptan-1-one CAS Name: 1-(6,7-dihydroxy-5-nitro-2-naphthalenyl)-1-heptanone IUPAC Name: 1-(6,7-dihydroxy-5-nitronaphthalen-2-yl)heptan-1-one Traditional Name: 1-(6,7-dihydroxy-5-nitro-2-naphthyl)heptan-1-one Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=CC2=CC(=C(C(=C2C=C1)[N+](=O)[O-])O)O

Isomeric SMILES

CCCCCCC(=O)C1=CC2=CC(=C(C(=C2C=C1)[N+](=O)[O-])O)O

InChI

InChI=1S/C17H19NO5/c1-2-3-4-5-6-14(19)11-7-8-13-12(9-11)10-15(20)17(21)16(13)18(22)23/h7-10,20-21H,2-6H2,1H3