2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-butylphenyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-butylphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-butylphenyl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5/c1-2-3-5-13-8-10-14(11-9-13)17(23)12-21-19(24)15-6-4-7-16(22(26)27)18(15)20(21)25/h4,6-11H,2-3,5,12H2,1H3