1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O4/c1-7-11(16(19)20)10(12(17)18)14-15(7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,17,18)