5-nitro-2-(4-oxidanylidene-4-phenyl-butyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(4-oxidanylidene-4-phenyl-butyl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(4-oxo-4-phenyl-butyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(4-oxo-4-phenylbutyl)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(4-oxo-4-phenylbutyl)isoindole-1,3-dione Traditional Name: 2-(4-keto-4-phenyl-butyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5/c21-16(12-5-2-1-3-6-12)7-4-10-19-17(22)14-9-8-13(20(24)25)11-15(14)18(19)23/h1-3,5-6,8-9,11H,4,7,10H2