5-azanyl-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-5-oxo-pentanoic acid CAS Name: 5-amino-3-(4-nitro-1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid IUPAC Name: 5-amino-3-(4-nitro-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid Traditional Name: 5-amino-3-(1,3-diketo-4-nitro-isoindolin-2-yl)-5-keto-valeric acid Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(CC(=O)N)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(CC(=O)N)CC(=O)O

InChI

InChI=1S/C13H11N3O7/c14-9(17)4-6(5-10(18)19)15-12(20)7-2-1-3-8(16(22)23)11(7)13(15)21/h1-3,6H,4-5H2,(H2,14,17)(H,18,19)