2-(1-nitropentan-2-yl)-2-phenyl-indene-1,3-dione

Systemtic Name: 2-(1-nitropentan-2-yl)-2-phenyl-indene-1,3-dione Openeye Name: 2-[1-(nitromethyl)butyl]-2-phenyl-indane-1,3-dione CAS Name: 2-(1-nitropentan-2-yl)-2-phenylindene-1,3-dione IUPAC Name: 2-(1-nitropentan-2-yl)-2-phenylindene-1,3-dione Traditional Name: 2-[1-(nitromethyl)butyl]-2-phenyl-indane-1,3-quinone Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C[N+](=O)[O-])C1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C[N+](=O)[O-])C1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO4/c1-2-8-15(13-21(24)25)20(14-9-4-3-5-10-14)18(22)16-11-6-7-12-17(16)19(20)23/h3-7,9-12,15H,2,8,13H2,1H3