diethyl 3-methyl-5-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[1-[(2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22N4O8S MolecularWeight: 502.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O8S/c1-4-32-21(28)17-13(3)18(22(29)33-5-2)35-20(17)23-19(27)14-10-11-25(24-14)12-34-16-9-7-6-8-15(16)26(30)31/h6-11H,4-5,12H2,1-3H3,(H,23,27)