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

Systemtic Name: 2-(4-butoxyphenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(4-butoxyphenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-butoxyphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(4-butoxyphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-butoxyphenyl)-4-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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