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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoic acid CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-phenyl-propionic acid Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c20-15-12-7-6-11(19(24)25)9-13(12)16(21)18(15)14(17(22)23)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,22,23)