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

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoic acid CAS Name: 2-hydroxy-4-(5-nitro-1,3-dioxo-2-isoindolyl)benzoic acid IUPAC Name: 2-hydroxy-4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoic acid Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)-2-hydroxy-benzoic acid Formula: C15H8N2O7 MolecularWeight: 328.23322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C15H8N2O7/c18-12-6-7(1-4-10(12)15(21)22)16-13(19)9-3-2-8(17(23)24)5-11(9)14(16)20/h1-6,18H,(H,21,22)