[(2Z)-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-yl] 4-nitrobenzoate

Systemtic Name: [(2Z)-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [(2Z)-2-benzylidene-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2Z)-3-oxo-2-(phenylmethylene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2Z)-2-benzal-3-keto-coumaran-6-yl] ester Formula: C22H13NO6 MolecularWeight: 387.34172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13NO6/c24-21-18-11-10-17(28-22(25)15-6-8-16(9-7-15)23(26)27)13-19(18)29-20(21)12-14-4-2-1-3-5-14/h1-13H/b20-12-