4-azanyl-3-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-(4-nitro-1-oxo-isoindolin-2-yl)-4-oxo-butanoic acid CAS Name: 4-amino-3-(7-nitro-3-oxo-1H-isoindol-2-yl)-4-oxobutanoic acid IUPAC Name: 4-amino-3-(7-nitro-3-oxo-1H-isoindol-2-yl)-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-3-(1-keto-4-nitro-isoindolin-2-yl)butyric acid Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)N1C(CC(=O)O)C(=O)N

Isomeric SMILES

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)N1C(CC(=O)O)C(=O)N

InChI

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