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

Systemtic Name: [2-[(2-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [2-(o-tolylmethylene)-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(2-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-keto-2-(2-methylbenzylidene)coumaran-6-yl] ester Formula: C23H15NO6 MolecularWeight: 401.3683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO6/c1-14-4-2-3-5-16(14)12-21-22(25)19-11-10-18(13-20(19)30-21)29-23(26)15-6-8-17(9-7-15)24(27)28/h2-13H,1H3