[4-[C-(1,2,4-triazol-4-yl)carbonimidoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[C-(1,2,4-triazol-4-yl)carbonimidoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-(1,2,4-triazole-4-carboximidoyl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[imino(1,2,4-triazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-(1,2,4-triazole-4-carboximidoyl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(1,2,4-triazole-4-carboximidoyl)phenyl] ester Formula: C16H11BrN4O2 MolecularWeight: 371.18814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N2C=NN=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=N)N2C=NN=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN4O2/c17-13-5-1-12(2-6-13)16(22)23-14-7-3-11(4-8-14)15(18)21-9-19-20-10-21/h1-10,18H