2-(3-methylbutanoyl)-4-nitro-indene-1,3-dione

Systemtic Name: 2-(3-methylbutanoyl)-4-nitro-indene-1,3-dione Openeye Name: 2-(3-methylbutanoyl)-4-nitro-indane-1,3-dione CAS Name: 2-(3-methyl-1-oxobutyl)-4-nitroindene-1,3-dione IUPAC Name: 2-(3-methylbutanoyl)-4-nitroindene-1,3-dione Traditional Name: 2-isovaleryl-4-nitro-indane-1,3-quinone Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5/c1-7(2)6-10(16)12-13(17)8-4-3-5-9(15(19)20)11(8)14(12)18/h3-5,7,12H,6H2,1-2H3