pentyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-2-3-6-12-28-20(25)13-8-4-5-10-15(13)21-18(23)14-9-7-11-16(22(26)27)17(14)19(21)24/h4-5,7-11H,2-3,6,12H2,1H3