2-[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(5-nitro-1,3-dioxo-isoindolin-2-yl)phenoxy]acetic acid CAS Name: 2-[4-(5-nitro-1,3-dioxo-2-isoindolyl)phenoxy]acetic acid IUPAC Name: 2-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenoxy]acetic acid Traditional Name: 2-[4-(1,3-diketo-5-nitro-isoindolin-2-yl)phenoxy]acetic acid Formula: C16H10N2O7 MolecularWeight: 342.2598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OCC(=O)O

InChI

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