(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-bromanyl-1H-indole-2-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C14H14BrN5O2 MolecularWeight: 364.19726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3N2)Br

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3N2)Br

InChI

InChI=1S/C14H14BrN5O2/c1-2-7-20-11(17-18-19-20)8-22-14(21)13-12(15)9-5-3-4-6-10(9)16-13/h3-6,16H,2,7-8H2,1H3