4-azanyl-5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-azanyl-5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-amino-5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-amino-5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-amino-5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-amino-5-(3-cyano-4-neopentyloxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)C2=NN(C(=C2N)C(=O)O)C)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)C2=NN(C(=C2N)C(=O)O)C)C#N

InChI

InChI=1S/C17H20N4O3/c1-17(2,3)9-24-12-6-5-10(7-11(12)8-18)14-13(19)15(16(22)23)21(4)20-14/h5-7H,9,19H2,1-4H3,(H,22,23)