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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-2-3-5-12-8-10-13(11-9-12)19-17(21)14-6-4-7-15(20(23)24)16(14)18(19)22/h4,6-11H,2-3,5H2,1H3