(4-quinoxalin-2-ylphenyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H12ClN3O4 MolecularWeight: 405.79068

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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=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H12ClN3O4/c22-17-10-7-14(25(27)28)11-16(17)21(26)29-15-8-5-13(6-9-15)20-12-23-18-3-1-2-4-19(18)24-20/h1-12H