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

Systemtic Name: (4-quinoxalin-2-ylphenyl) 3-nitrobenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H13N3O4 MolecularWeight: 371.34562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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