2-[(4a-morpholin-4-yl-7-nitro-1,2,3,4,9,9a-hexahydroxanthen-9-yl)amino]benzenecarbonitrile

Systemtic Name: 2-[(4a-morpholin-4-yl-7-nitro-1,2,3,4,9,9a-hexahydroxanthen-9-yl)amino]benzenecarbonitrile Openeye Name: 2-[(4a-morpholino-7-nitro-1,2,3,4,9,9a-hexahydroxanthen-9-yl)amino]benzonitrile CAS Name: 2-[[4a-(4-morpholinyl)-7-nitro-1,2,3,4,9,9a-hexahydroxanthen-9-yl]amino]benzonitrile IUPAC Name: 2-[(4a-morpholin-4-yl-7-nitro-1,2,3,4,9,9a-hexahydroxanthen-9-yl)amino]benzonitrile Traditional Name: 2-[(4a-morpholino-7-nitro-1,2,3,4,9,9a-hexahydroxanthen-9-yl)amino]benzonitrile Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])NC4=CC=CC=C4C#N)N5CCOCC5

Isomeric SMILES

C1CCC2(C(C1)C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])NC4=CC=CC=C4C#N)N5CCOCC5

InChI

InChI=1S/C24H26N4O4/c25-16-17-5-1-2-7-21(17)26-23-19-15-18(28(29)30)8-9-22(19)32-24(10-4-3-6-20(23)24)27-11-13-31-14-12-27/h1-2,5,7-9,15,20,23,26H,3-4,6,10-14H2