2-(4-butoxyphenyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(4-butoxyphenyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(4-butoxyphenyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(4-butoxyphenyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(4-butoxyphenyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(4-butoxyphenyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-2-3-10-25-14-7-4-12(5-8-14)19-17(21)15-9-6-13(20(23)24)11-16(15)18(19)22/h4-9,11H,2-3,10H2,1H3