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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [(2Z)-3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2Z)-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-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(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3

InChI

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