[2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate

Systemtic Name: [2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-keto-2-[(3-methyl-2-thienyl)methylene]coumaran-6-yl] ester Formula: C21H13NO6S MolecularWeight: 407.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13NO6S/c1-12-8-9-29-19(12)11-18-20(23)16-7-6-15(10-17(16)28-18)27-21(24)13-2-4-14(5-3-13)22(25)26/h2-11H,1H3