(4-quinoxalin-2-ylphenyl) 2-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 2-methyl-3,5-dinitro-benzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C22H14N4O6 MolecularWeight: 430.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O6/c1-13-17(10-15(25(28)29)11-21(13)26(30)31)22(27)32-16-8-6-14(7-9-16)20-12-23-18-4-2-3-5-19(18)24-20/h2-12H,1H3