3-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-6-nitro-2-benzofuran-1-one

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-6-nitro-2-benzofuran-1-one Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methylene]-6-nitro-isobenzofuran-1-one CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-nitro-1-isobenzofuranone IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one Traditional Name: 6-nitro-3-vanillylidene-phthalide Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO6/c1-22-15-7-9(2-5-13(15)18)6-14-11-4-3-10(17(20)21)8-12(11)16(19)23-14/h2-8,18H,1H3