(phenylmethyl) 3-azanylidene-6-(4-bromophenyl)-4-oxidanyl-pyrazine-2-carboxylate

Systemtic Name: (phenylmethyl) 3-azanylidene-6-(4-bromophenyl)-4-oxidanyl-pyrazine-2-carboxylate Openeye Name: benzyl 6-(4-bromophenyl)-4-hydroxy-3-imino-pyrazine-2-carboxylate CAS Name: 6-(4-bromophenyl)-4-hydroxy-3-imino-2-pyrazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(4-bromophenyl)-4-hydroxy-3-iminopyrazine-2-carboxylate Traditional Name: 6-(4-bromophenyl)-4-hydroxy-3-imino-pyrazinic acid benzyl ester Formula: C18H14BrN3O3 MolecularWeight: 400.22606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC(=CN(C2=N)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC(=CN(C2=N)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrN3O3/c19-14-8-6-13(7-9-14)15-10-22(24)17(20)16(21-15)18(23)25-11-12-4-2-1-3-5-12/h1-10,20,24H,11H2