5-azanyl-2-(1-nitro-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-(1-nitro-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(1-nitro-3-oxo-isoindolin-2-yl)-5-oxo-pentanoic acid CAS Name: 5-amino-2-(1-nitro-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid IUPAC Name: 5-amino-2-(1-nitro-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-(1-keto-3-nitro-isoindolin-2-yl)valeric acid Formula: C13H13N3O6 MolecularWeight: 307.25882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6/c14-10(17)6-5-9(13(19)20)15-11(16(21)22)7-3-1-2-4-8(7)12(15)18/h1-4,9,11H,5-6H2,(H2,14,17)(H,19,20)