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

Systemtic Name: (3-quinoxalin-2-ylphenyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (3-quinoxalin-2-ylphenyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-(2-quinoxalinyl)phenyl] ester IUPAC Name: (3-quinoxalin-2-ylphenyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (3-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(=CC=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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