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

Systemtic Name: 4-azanyl-5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-amino-5-(3-cyano-4-isobutoxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-amino-5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-amino-5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-amino-5-(3-cyano-4-isobutoxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-9(2)8-23-12-5-4-10(6-11(12)7-17)14-13(18)15(16(21)22)20(3)19-14/h4-6,9H,8,18H2,1-3H3,(H,21,22)