5-azanyl-2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(4-nitro-1-oxo-isoindolin-2-yl)-5-oxo-pentanoic acid CAS Name: 5-amino-2-(7-nitro-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid IUPAC Name: 5-amino-2-(7-nitro-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-(1-keto-4-nitro-isoindolin-2-yl)valeric acid Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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