4-(2-azido-1H-indol-3-yl)but-2-ynoic acid

Systemtic Name: 4-(2-azido-1H-indol-3-yl)but-2-ynoic acid Openeye Name: 4-(2-azido-1H-indol-3-yl)but-2-ynoic acid CAS Name: 4-(2-azido-1H-indol-3-yl)-2-butynoic acid IUPAC Name: 4-(2-azido-1H-indol-3-yl)but-2-ynoic acid Traditional Name: 4-(2-azido-1H-indol-3-yl)but-2-ynoic acid Formula: C12H8N4O2 MolecularWeight: 240.21752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)N=[N+]=[N-])CC#CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)N=[N+]=[N-])CC#CC(=O)O

InChI

InChI=1S/C12H8N4O2/c13-16-15-12-9(5-3-7-11(17)18)8-4-1-2-6-10(8)14-12/h1-2,4,6,14H,5H2,(H,17,18)