5-nitro-2-(3-phenylpropyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(3-phenylpropyl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(3-phenylpropyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(3-phenylpropyl)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(3-phenylpropyl)isoindole-1,3-dione Traditional Name: 5-nitro-2-(3-phenylpropyl)isoindoline-1,3-quinone Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4/c20-16-14-9-8-13(19(22)23)11-15(14)17(21)18(16)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2