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

Systemtic Name: 2-aminocarbonyl-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 2-carbamoyl-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoic acid CAS Name: 2-carbamoyl-3-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: 2-carbamoyl-3-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 2-carbamoyl-3-(1,3-diketo-4-nitro-isoindolin-2-yl)butyric acid Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O7/c1-5(8(10(14)17)13(20)21)15-11(18)6-3-2-4-7(16(22)23)9(6)12(15)19/h2-5,8H,1H3,(H2,14,17)(H,20,21)