ethyl 5-ethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(2-hydroxy-5-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(2-hydroxy-5-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-hydroxy-5-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)OCC

InChI

InChI=1S/C16H16N2O6S/c1-3-10-8-12(16(21)24-4-2)15(25-10)17-14(20)11-7-9(18(22)23)5-6-13(11)19/h5-8,19H,3-4H2,1-2H3,(H,17,20)