ethyl 2-[(7-ethoxy-1-benzofuran-2-yl)carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(7-ethoxy-1-benzofuran-2-yl)carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[(7-ethoxybenzofuran-2-carbonyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[(7-ethoxy-2-benzofuranyl)-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[(7-ethoxybenzofuran-2-carbonyl)amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C=C(S3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C=C(S3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H16N2O7S/c1-3-25-12-7-5-6-10-8-13(27-15(10)12)16(21)19-17-11(18(22)26-4-2)9-14(28-17)20(23)24/h5-9H,3-4H2,1-2H3,(H,19,21)