3-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[5-(4-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[5-(4-nitrophenoxy)-1,3-dioxo-2-isoindolyl]propanoic acid IUPAC Name: 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]propanoic acid Traditional Name: 3-[1,3-diketo-5-(4-nitrophenoxy)isoindolin-2-yl]propionic acid Formula: C17H12N2O7 MolecularWeight: 356.28638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O7/c20-15(21)7-8-18-16(22)13-6-5-12(9-14(13)17(18)23)26-11-3-1-10(2-4-11)19(24)25/h1-6,9H,7-8H2,(H,20,21)