1-[2-chloranyl-5-(dimethylcarbamoyl)phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-chloranyl-5-(dimethylcarbamoyl)phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid Openeye Name: 1-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid CAS Name: 1-[2-chloro-5-[dimethylamino(oxo)methyl]phenyl]-5-cyclopropyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid Traditional Name: 1-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=C(C=C1)Cl)N2C(=C(C=N2)C(=O)O)C3CC3

Isomeric SMILES

CN(C)C(=O)C1=CC(=C(C=C1)Cl)N2C(=C(C=N2)C(=O)O)C3CC3

InChI

InChI=1S/C16H16ClN3O3/c1-19(2)15(21)10-5-6-12(17)13(7-10)20-14(9-3-4-9)11(8-18-20)16(22)23/h5-9H,3-4H2,1-2H3,(H,22,23)