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

Systemtic Name: 4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoic acid Openeye Name: 4-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanoic acid CAS Name: 4-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-methyl-valeric acid Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-7(2)6-10(14(19)20)15-12(17)8-4-3-5-9(16(21)22)11(8)13(15)18/h3-5,7,10H,6H2,1-2H3,(H,19,20)