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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [(2Z)-3-oxo-2-(2-thienylmethylene)benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(2Z)-3-keto-2-(2-thenylidene)coumaran-6-yl] ester Formula: C20H11NO6S MolecularWeight: 393.36944

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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=CS4)O3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CS4)/O3

InChI

InChI=1S/C20H11NO6S/c22-19-16-7-6-14(10-17(16)27-18(19)11-15-5-2-8-28-15)26-20(23)12-3-1-4-13(9-12)21(24)25/h1-11H/b18-11-