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

Systemtic Name: 3-[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-(5-nitro-1,3-dioxo-isoindolin-2-yl)phenyl]propanoic acid CAS Name: 3-[4-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl]propanoic acid IUPAC Name: 3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-(1,3-diketo-5-nitro-isoindolin-2-yl)phenyl]propionic acid Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

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