[2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate

Systemtic Name: [2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(5-methyl-2-furanyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-keto-2-[(5-methyl-2-furyl)methylene]coumaran-6-yl] ester Formula: C21H13NO7 MolecularWeight: 391.33042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13NO7/c1-12-2-7-15(27-12)11-19-20(23)17-9-8-16(10-18(17)29-19)28-21(24)13-3-5-14(6-4-13)22(25)26/h2-11H,1H3