2-(3-aminophenyl)-7-cyano-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid

Systemtic Name: 2-(3-aminophenyl)-7-cyano-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid Openeye Name: 2-(3-aminophenyl)-7-cyano-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid CAS Name: 2-(3-aminophenyl)-7-cyano-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid IUPAC Name: 2-(3-aminophenyl)-7-cyano-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid Traditional Name: 2-(3-aminophenyl)-7-cyano-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid Formula: C13H9N5O2 MolecularWeight: 267.24286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C2=NC3=C(C(=CN3N2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N)C2=NC3=C(C(=CN3N2)C(=O)O)C#N

InChI

InChI=1S/C13H9N5O2/c14-5-9-10(13(19)20)6-18-12(9)16-11(17-18)7-2-1-3-8(15)4-7/h1-4,6H,15H2,(H,16,17)(H,19,20)