[(1S)-2-oxidanylidenecyclohexyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7/c19-11-6-1-2-7-12(11)25-13(20)8-17-15(21)9-4-3-5-10(18(23)24)14(9)16(17)22/h3-5,12H,1-2,6-8H2/t12-/m0/s1