[2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate

Systemtic Name: [2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-keto-2-(3-nitrobenzylidene)coumaran-6-yl] ester Formula: C16H11NO7S MolecularWeight: 361.32604

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])O2

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])O2

InChI

InChI=1S/C16H11NO7S/c1-25(21,22)24-12-5-6-13-14(9-12)23-15(16(13)18)8-10-3-2-4-11(7-10)17(19)20/h2-9H,1H3