2-butanoyl-4-nitro-indene-1,3-dione

Systemtic Name: 2-butanoyl-4-nitro-indene-1,3-dione Openeye Name: 2-butanoyl-4-nitro-indane-1,3-dione CAS Name: 4-nitro-2-(1-oxobutyl)indene-1,3-dione IUPAC Name: 2-butanoyl-4-nitroindene-1,3-dione Traditional Name: 2-butyryl-4-nitro-indane-1,3-quinone Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5/c1-2-4-9(15)11-12(16)7-5-3-6-8(14(18)19)10(7)13(11)17/h3,5-6,11H,2,4H2,1H3