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

Systemtic Name: 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoic acid Openeye Name: 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoic acid CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid IUPAC Name: 3-(4-nitro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid Traditional Name: 3-(1,3-diketo-4-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)C(CC(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6/c20-14(21)9-13(10-5-2-1-3-6-10)18-16(22)11-7-4-8-12(19(24)25)15(11)17(18)23/h1-8,13H,9H2,(H,20,21)