4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexane-1-carboxylate Openeye Name: 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)cyclohexanecarboxylate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)-1-cyclohexanecarboxylate IUPAC Name: 4-(4-nitro-1,3-dioxoisoindol-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)cyclohexanecarboxylate Formula: C15H13N2O6- MolecularWeight: 317.27352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)[O-])N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C(=O)[O-])N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6/c18-13-10-2-1-3-11(17(22)23)12(10)14(19)16(13)9-6-4-8(5-7-9)15(20)21/h1-3,8-9H,4-7H2,(H,20,21)/p-1