[4-(3-phenylquinoxalin-2-yl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(3-phenyl-2-quinoxalinyl)phenyl] ester IUPAC Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-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=CC(=CC(=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=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

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