phenyl 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: phenyl 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: phenyl 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid phenyl ester IUPAC Name: phenyl 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid phenyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c23-17(28-14-8-3-1-4-9-14)12-5-2-6-13-21-19(24)15-10-7-11-16(22(26)27)18(15)20(21)25/h1,3-4,7-11H,2,5-6,12-13H2