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

Systemtic Name: methyl-[(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]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(4-nitro-1,3-dioxo-2-isoindolyl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-nitro-1,3-dioxoisoindol-2-yl)propyl]-methylazanium Traditional Name: [(2S)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)-2-hydroxy-propyl]-methyl-ammonium Formula: C12H14N3O5+ MolecularWeight: 280.25666

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

C[NH2+]C[C@@H](CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H13N3O5/c1-13-5-7(16)6-14-11(17)8-3-2-4-9(15(19)20)10(8)12(14)18/h2-4,7,13,16H,5-6H2,1H3/p+1/t7-/m0/s1