2-(3-methylbutyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3-methylbutyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-isopentyl-5-nitro-isoindoline-1,3-dione CAS Name: 2-(3-methylbutyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(3-methylbutyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-isoamyl-5-nitro-isoindoline-1,3-quinone Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-8(2)5-6-14-12(16)10-4-3-9(15(18)19)7-11(10)13(14)17/h3-4,7-8H,5-6H2,1-2H3