[(2S)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-nitro-1,3-dioxo-2-isoindolyl)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-nitro-1,3-dioxoisoindol-2-yl)propyl]azanium Traditional Name: [(2S)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)-2-hydroxy-propyl]ammonium Formula: C11H12N3O5+ MolecularWeight: 266.23008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(C[NH3+])O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C[C@H](C[NH3+])O

InChI

InChI=1S/C11H11N3O5/c12-4-6(15)5-13-10(16)7-2-1-3-8(14(18)19)9(7)11(13)17/h1-3,6,15H,4-5,12H2/p+1/t6-/m0/s1