2-[5-bromanyl-6-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-6-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid Openeye Name: 2-(5-bromo-6-nitro-1,3-dioxo-isoindolin-2-yl)acetic acid CAS Name: 2-(5-bromo-6-nitro-1,3-dioxo-2-isoindolyl)acetic acid IUPAC Name: 2-(5-bromo-6-nitro-1,3-dioxoisoindol-2-yl)acetic acid Traditional Name: 2-(5-bromo-1,3-diketo-6-nitro-isoindolin-2-yl)acetic acid Formula: C10H5BrN2O6 MolecularWeight: 329.0605

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])Br)C(=O)N(C2=O)CC(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])Br)C(=O)N(C2=O)CC(=O)O

InChI

InChI=1S/C10H5BrN2O6/c11-6-1-4-5(2-7(6)13(18)19)10(17)12(9(4)16)3-8(14)15/h1-2H,3H2,(H,14,15)