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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [(2Z)-3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2Z)-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2Z)-3-keto-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C21H12N2O6 MolecularWeight: 388.32978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=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(=CN=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/C21H12N2O6/c24-20-17-8-7-16(28-21(25)14-3-5-15(6-4-14)23(26)27)11-18(17)29-19(20)10-13-2-1-9-22-12-13/h1-12H/b19-10-