2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-butylphenyl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-butylphenyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-butylphenyl)-2-keto-ethyl]-5-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-2-3-4-13-5-7-14(8-6-13)18(23)12-21-19(24)16-10-9-15(22(26)27)11-17(16)20(21)25/h5-11H,2-4,12H2,1H3