dibutyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium

Systemtic Name: dibutyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: dibutyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: dibutyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: dibutyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: dibutyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]ammonium Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-3-5-9-18(10-6-4-2)12-19-16(21)14-8-7-13(20(23)24)11-15(14)17(19)22/h7-8,11H,3-6,9-10,12H2,1-2H3/p+1