(3E)-3-[(4-methoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one

Systemtic Name: (3E)-3-[(4-methoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one Openeye Name: (3E)-3-[(4-methoxyphenyl)methylene]-6-nitro-isobenzofuran-1-one CAS Name: (3E)-3-[(4-methoxyphenyl)methylidene]-6-nitro-1-isobenzofuranone IUPAC Name: (3E)-3-[(4-methoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one Traditional Name: (3E)-6-nitro-3-p-anisylidene-phthalide Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H11NO5/c1-21-12-5-2-10(3-6-12)8-15-13-7-4-11(17(19)20)9-14(13)16(18)22-15/h2-9H,1H3/b15-8+