[4-(3-phenylquinoxalin-2-yl)phenyl] 2,4-dinitrobenzoate

Systemtic Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 2,4-dinitrobenzoate Openeye Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-(3-phenyl-2-quinoxalinyl)phenyl] ester IUPAC Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-(3-phenylquinoxalin-2-yl)phenyl] ester Formula: C27H16N4O6 MolecularWeight: 492.43914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H16N4O6/c32-27(21-15-12-19(30(33)34)16-24(21)31(35)36)37-20-13-10-18(11-14-20)26-25(17-6-2-1-3-7-17)28-22-8-4-5-9-23(22)29-26/h1-16H