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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [(2Z)-3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(2Z)-3-keto-2-(4-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=CC=NC=C4)O3

Isomeric SMILES

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

InChI

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