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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CC(=O)O)[N+](=O)[O-]

InChI

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