(phenylmethyl) 6-bromanylcinnoline-3-carboxylate

Systemtic Name: (phenylmethyl) 6-bromanylcinnoline-3-carboxylate Openeye Name: benzyl 6-bromocinnoline-3-carboxylate CAS Name: 6-bromo-3-cinnolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromocinnoline-3-carboxylate Traditional Name: 6-bromocinnoline-3-carboxylic acid benzyl ester Formula: C16H11BrN2O2 MolecularWeight: 343.17474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NN=C3C=CC(=CC3=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NN=C3C=CC(=CC3=C2)Br

InChI

InChI=1S/C16H11BrN2O2/c17-13-6-7-14-12(8-13)9-15(19-18-14)16(20)21-10-11-4-2-1-3-5-11/h1-9H,10H2