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

Systemtic Name: (2S)-2-azanyl-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: (2S)-2-amino-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoic acid CAS Name: (2S)-2-amino-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: (2S)-2-amino-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: (2S)-2-amino-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyric acid Formula: C12H11N3O6 MolecularWeight: 293.23224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O6/c13-7(12(18)19)4-5-14-10(16)6-2-1-3-8(15(20)21)9(6)11(14)17/h1-3,7H,4-5,13H2,(H,18,19)/t7-/m0/s1