6-nitro-3-phenacyl-3H-2-benzofuran-1-one

Systemtic Name: 6-nitro-3-phenacyl-3H-2-benzofuran-1-one Openeye Name: 6-nitro-3-phenacyl-3H-isobenzofuran-1-one CAS Name: 6-nitro-3-phenacyl-3H-isobenzofuran-1-one IUPAC Name: 6-nitro-3-phenacyl-3H-2-benzofuran-1-one Traditional Name: 6-nitro-3-phenacyl-phthalide Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H11NO5/c18-14(10-4-2-1-3-5-10)9-15-12-7-6-11(17(20)21)8-13(12)16(19)22-15/h1-8,15H,9H2