(4-quinoxalin-2-ylphenyl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H12BrN3O4 MolecularWeight: 450.24168

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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(=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H12BrN3O4/c22-16-10-7-14(11-20(16)25(27)28)21(26)29-15-8-5-13(6-9-15)19-12-23-17-3-1-2-4-18(17)24-19/h1-12H