N2-(2-adamantyl)-N3-(4-bromophenyl)-6,7-dinitro-quinoxaline-2,3-diamine

Systemtic Name: N2-(2-adamantyl)-N3-(4-bromophenyl)-6,7-dinitro-quinoxaline-2,3-diamine Openeye Name: N2-(2-adamantyl)-N3-(4-bromophenyl)-6,7-dinitro-quinoxaline-2,3-diamine CAS Name: N2-(2-adamantyl)-N3-(4-bromophenyl)-6,7-dinitroquinoxaline-2,3-diamine IUPAC Name: 2-N-(2-adamantyl)-3-N-(4-bromophenyl)-6,7-dinitroquinoxaline-2,3-diamine Traditional Name: 2-adamantyl-[3-(4-bromoanilino)-6,7-dinitro-quinoxalin-2-yl]amine Formula: C24H23BrN6O4 MolecularWeight: 539.38122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC4=NC5=CC(=C(C=C5N=C4NC6=CC=C(C=C6)Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC4=NC5=CC(=C(C=C5N=C4NC6=CC=C(C=C6)Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23BrN6O4/c25-16-1-3-17(4-2-16)26-23-24(29-22-14-6-12-5-13(8-14)9-15(22)7-12)28-19-11-21(31(34)35)20(30(32)33)10-18(19)27-23/h1-4,10-15,22H,5-9H2,(H,26,27)(H,28,29)