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

Systemtic Name: 2-(4-butylphenyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(4-butylphenyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(4-butylphenyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(4-butylphenyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(4-butylphenyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4/c1-2-3-4-12-5-7-13(8-6-12)19-17(21)15-10-9-14(20(23)24)11-16(15)18(19)22/h5-11H,2-4H2,1H3