(4-quinoxalin-2-ylphenyl) 2-nitrobenzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 2-nitrobenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H13N3O4 MolecularWeight: 371.34562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4/c25-21(16-5-1-4-8-20(16)24(26)27)28-15-11-9-14(10-12-15)19-13-22-17-6-2-3-7-18(17)23-19/h1-13H