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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C10H12BrN5O2 MolecularWeight: 314.13858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C10H12BrN5O2/c1-2-3-16-9(13-14-15-16)6-18-10(17)8-4-7(11)5-12-8/h4-5,12H,2-3,6H2,1H3