(4-quinoxalin-2-ylphenyl) 3-bromanylbenzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 3-bromanylbenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H13BrN2O2 MolecularWeight: 405.24412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H13BrN2O2/c22-16-5-3-4-15(12-16)21(25)26-17-10-8-14(9-11-17)20-13-23-18-6-1-2-7-19(18)24-20/h1-13H