6-[6-(dimethylamino)hexyl]-5-nitro-2-(phenylcarbonyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[6-(dimethylamino)hexyl]-5-nitro-2-(phenylcarbonyl)cyclohexa-2,4-dien-1-one Openeye Name: 2-benzoyl-6-[6-(dimethylamino)hexyl]-5-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-benzoyl-6-[6-(dimethylamino)hexyl]-5-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2-benzoyl-6-[6-(dimethylamino)hexyl]-5-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-benzoyl-6-[6-(dimethylamino)hexyl]-5-nitro-cyclohexa-2,4-dien-1-one Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCC1C(=CC=C(C1=O)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCCCCC1C(=CC=C(C1=O)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O4/c1-22(2)15-9-4-3-8-12-17-19(23(26)27)14-13-18(21(17)25)20(24)16-10-6-5-7-11-16/h5-7,10-11,13-14,17H,3-4,8-9,12,15H2,1-2H3