4-chloranyl-2-methyl-5-[4-(2-methylpropoxy)-3-nitro-phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-2-methyl-5-[4-(2-methylpropoxy)-3-nitro-phenyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-5-(4-isobutoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-chloro-2-methyl-5-[4-(2-methylpropoxy)-3-nitrophenyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-2-methyl-5-[4-(2-methylpropoxy)-3-nitrophenyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-5-(4-isobutoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C15H16ClN3O5 MolecularWeight: 353.75764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NN(C(=C2Cl)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NN(C(=C2Cl)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O5/c1-8(2)7-24-11-5-4-9(6-10(11)19(22)23)13-12(16)14(15(20)21)18(3)17-13/h4-6,8H,7H2,1-3H3,(H,20,21)