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

Systemtic Name: 5-azanyl-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)-5-oxo-pentanoic acid CAS Name: 5-amino-4-(4-nitro-1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid IUPAC Name: 5-amino-4-(4-nitro-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid Traditional Name: 5-amino-4-(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(CCC(=O)O)C(=O)N

Isomeric SMILES

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

InChI

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