2-nitro-3-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

Systemtic Name: 2-nitro-3-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Openeye Name: 2-nitro-3-phenyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one CAS Name: 2-nitro-3-phenyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one IUPAC Name: 2-nitro-3-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Traditional Name: 2-nitro-3-phenyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C1

InChI

InChI=1S/C14H13NO4/c16-10-7-4-8-11-13(10)12(14(19-11)15(17)18)9-5-2-1-3-6-9/h1-3,5-6,12,14H,4,7-8H2