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

Systemtic Name: 3-[5-(3-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[5-(3-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[5-(3-nitrophenoxy)-1,3-dioxo-2-isoindolyl]propanoic acid IUPAC Name: 3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]propanoic acid Traditional Name: 3-[1,3-diketo-5-(3-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)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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