2-[4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]ethanoate

Systemtic Name: 2-[4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]ethanoate Openeye Name: 2-[4-(4-nitro-1,3-dioxo-isoindolin-2-yl)phenoxy]acetate CAS Name: 2-[4-(4-nitro-1,3-dioxo-2-isoindolyl)phenoxy]acetate IUPAC Name: 2-[4-(4-nitro-1,3-dioxoisoindol-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-diketo-4-nitro-isoindolin-2-yl)phenoxy]acetate Formula: C16H9N2O7- MolecularWeight: 341.25186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)[O-]

InChI

InChI=1S/C16H10N2O7/c19-13(20)8-25-10-6-4-9(5-7-10)17-15(21)11-2-1-3-12(18(23)24)14(11)16(17)22/h1-7H,8H2,(H,19,20)/p-1