(4-aminocarbonyl-2-nitro-phenyl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H15ClN4O5S MolecularWeight: 470.8856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN4O5S/c1-11-16-9-18(32-20(16)25(24-11)15-6-4-14(22)5-7-15)21(28)31-10-13-3-2-12(19(23)27)8-17(13)26(29)30/h2-9H,10H2,1H3,(H2,23,27)