5-(5-azanyl-3-tert-butyl-pyrazol-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(5-azanyl-3-tert-butyl-pyrazol-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(5-amino-3-tert-butyl-pyrazol-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(5-amino-3-tert-butyl-1-pyrazolyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(5-amino-3-tert-butyl-pyrazol-1-yl)isophthalic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)N)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)N)C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H17N3O4/c1-15(2,3)11-7-12(16)18(17-11)10-5-8(13(19)20)4-9(6-10)14(21)22/h4-7H,16H2,1-3H3,(H,19,20)(H,21,22)