diethyl 5-[4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H23ClN4O7S MolecularWeight: 486.92652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C19H23ClN4O7S/c1-5-30-18(26)13-10(3)15(19(27)31-6-2)32-17(13)21-12(25)8-7-9-23-11(4)14(20)16(22-23)24(28)29/h5-9H2,1-4H3,(H,21,25)