3-[nitro-(2,4,5-trimethylphenyl)methylidene]-2-benzofuran-1-one

Systemtic Name: 3-[nitro-(2,4,5-trimethylphenyl)methylidene]-2-benzofuran-1-one Openeye Name: 3-[nitro-(2,4,5-trimethylphenyl)methylene]isobenzofuran-1-one CAS Name: 3-[nitro-(2,4,5-trimethylphenyl)methylidene]-1-isobenzofuranone IUPAC Name: 3-[nitro-(2,4,5-trimethylphenyl)methylidene]-2-benzofuran-1-one Traditional Name: 3-[nitro-(2,4,5-trimethylphenyl)methylene]phthalide Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H15NO4/c1-10-8-12(3)15(9-11(10)2)16(19(21)22)17-13-6-4-5-7-14(13)18(20)23-17/h4-9H,1-3H3