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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O5/c1-12-19(13(2)25(24-12)10-15-5-3-4-6-17(15)22)21(28)31-11-16-8-7-14(20(23)27)9-18(16)26(29)30/h3-9H,10-11H2,1-2H3,(H2,23,27)