5-(5-azanyl-4-cyano-pyrazol-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(5-azanyl-4-cyano-pyrazol-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(5-amino-4-cyano-pyrazol-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(5-amino-4-cyano-1-pyrazolyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(5-amino-4-cyanopyrazol-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(5-amino-4-cyano-pyrazol-1-yl)isophthalic acid Formula: C12H8N4O4 MolecularWeight: 272.21632

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)N2C(=C(C=N2)C#N)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)N2C(=C(C=N2)C#N)N)C(=O)O

InChI

InChI=1S/C12H8N4O4/c13-4-8-5-15-16(10(8)14)9-2-6(11(17)18)1-7(3-9)12(19)20/h1-3,5H,14H2,(H,17,18)(H,19,20)