3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 3-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoic acid CAS Name: 3-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: 3-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-methyl-butyric acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c1-6(2)10(13(18)19)14-11(16)7-4-3-5-8(15(20)21)9(7)12(14)17/h3-6,10H,1-2H3,(H,18,19)