(2Z)-2-[3-(1-adamantylamino)-6-nitro-1H-quinoxalin-2-ylidene]-1-phenyl-ethanone

Systemtic Name: (2Z)-2-[3-(1-adamantylamino)-6-nitro-1H-quinoxalin-2-ylidene]-1-phenyl-ethanone Openeye Name: (2Z)-2-[3-(1-adamantylamino)-6-nitro-1H-quinoxalin-2-ylidene]-1-phenyl-ethanone CAS Name: (2Z)-2-[3-(1-adamantylamino)-6-nitro-1H-quinoxalin-2-ylidene]-1-phenylethanone IUPAC Name: (2Z)-2-[3-(1-adamantylamino)-6-nitro-1H-quinoxalin-2-ylidene]-1-phenylethanone Traditional Name: (2Z)-2-[3-(1-adamantylamino)-6-nitro-1H-quinoxalin-2-ylidene]-1-phenyl-ethanone Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC5=C(C=CC(=C5)[N+](=O)[O-])NC4=CC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC\4=NC5=C(C=CC(=C5)[N+](=O)[O-])N/C4=C\C(=O)C6=CC=CC=C6

InChI

InChI=1S/C26H26N4O3/c31-24(19-4-2-1-3-5-19)12-23-25(28-22-11-20(30(32)33)6-7-21(22)27-23)29-26-13-16-8-17(14-26)10-18(9-16)15-26/h1-7,11-12,16-18,27H,8-10,13-15H2,(H,28,29)/b23-12-