4-nitro-2-(3-oxidanylidenebutyl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(3-oxidanylidenebutyl)isoindole-1,3-dione Openeye Name: 4-nitro-2-(3-oxobutyl)isoindoline-1,3-dione CAS Name: 4-nitro-2-(3-oxobutyl)isoindole-1,3-dione IUPAC Name: 4-nitro-2-(3-oxobutyl)isoindole-1,3-dione Traditional Name: 2-(3-ketobutyl)-4-nitro-isoindoline-1,3-quinone Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O5/c1-7(15)5-6-13-11(16)8-3-2-4-9(14(18)19)10(8)12(13)17/h2-4H,5-6H2,1H3