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

Systemtic Name: [3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] butanoate Openeye Name: [3-(4-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] butanoate CAS Name: butanoic acid [3-(4-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] butanoate Traditional Name: butyric acid [3-(1,3-diketo-4-nitro-isoindolin-2-yl)phenyl] ester Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6/c1-2-5-15(21)26-12-7-3-6-11(10-12)19-17(22)13-8-4-9-14(20(24)25)16(13)18(19)23/h3-4,6-10H,2,5H2,1H3