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

Systemtic Name: 2-[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-(4-sec-butylphenyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-sec-butylphenyl)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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