5-nitro-2-phenethyl-isoindole-1,3-dione

Systemtic Name: 5-nitro-2-phenethyl-isoindole-1,3-dione Openeye Name: 5-nitro-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-nitro-2-phenethylisoindole-1,3-dione IUPAC Name: 5-nitro-2-phenethylisoindole-1,3-dione Traditional Name: 5-nitro-2-phenethyl-isoindoline-1,3-quinone Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c19-15-13-7-6-12(18(21)22)10-14(13)16(20)17(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2