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

Systemtic Name: [3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] octanoate Openeye Name: [3-(4-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] octanoate CAS Name: octanoic acid [3-(4-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] octanoate Traditional Name: caprylic acid [3-(1,3-diketo-4-nitro-isoindolin-2-yl)phenyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-2-3-4-5-6-13-19(25)30-16-10-7-9-15(14-16)23-21(26)17-11-8-12-18(24(28)29)20(17)22(23)27/h7-12,14H,2-6,13H2,1H3