N-(3,5-dimethoxyphenyl)-5,7-dinitro-3-phenyl-quinoxalin-2-amine

Systemtic Name: N-(3,5-dimethoxyphenyl)-5,7-dinitro-3-phenyl-quinoxalin-2-amine Openeye Name: N-(3,5-dimethoxyphenyl)-5,7-dinitro-3-phenyl-quinoxalin-2-amine CAS Name: N-(3,5-dimethoxyphenyl)-5,7-dinitro-3-phenyl-2-quinoxalinamine IUPAC Name: N-(3,5-dimethoxyphenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine Traditional Name: (3,5-dimethoxyphenyl)-(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amine Formula: C22H17N5O6 MolecularWeight: 447.40028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C22H17N5O6/c1-32-16-8-14(9-17(12-16)33-2)23-22-20(13-6-4-3-5-7-13)25-21-18(24-22)10-15(26(28)29)11-19(21)27(30)31/h3-12H,1-2H3,(H,23,24)