4-azanyl-3-(1-nitro-3-oxidanylidene-1H-isoindol-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-(1-nitro-3-oxidanylidene-1H-isoindol-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-(1-nitro-3-oxo-isoindolin-2-yl)-4-oxo-butanoic acid CAS Name: 4-amino-3-(1-nitro-3-oxo-1H-isoindol-2-yl)-4-oxobutanoic acid IUPAC Name: 4-amino-3-(1-nitro-3-oxo-1H-isoindol-2-yl)-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-3-(1-keto-3-nitro-isoindolin-2-yl)butyric acid Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)C(CC(=O)O)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)C(CC(=O)O)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6/c13-10(18)8(5-9(16)17)14-11(15(20)21)6-3-1-2-4-7(6)12(14)19/h1-4,8,11H,5H2,(H2,13,18)(H,16,17)