4-methyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoic acid

Systemtic Name: 4-methyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoic acid Openeye Name: 4-methyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)pentanoic acid CAS Name: 4-methyl-2-(5-nitro-1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 4-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 2-(1,3-diketo-5-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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