(4R,4aS,5R,5aR,6Z,12aR)-4-(dimethylamino)-5,10,12a-tris(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-6-[[4-(trifluoromethyl)phenyl]methylidene]-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide

Systemtic Name: (4R,4aS,5R,5aR,6Z,12aR)-4-(dimethylamino)-5,10,12a-tris(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-6-[[4-(trifluoromethyl)phenyl]methylidene]-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide Openeye Name: (4R,4aS,5R,5aR,6Z,12aR)-4-(dimethylamino)-5,10,12a-trihydroxy-1,3,11,12-tetraoxo-6-[[4-(trifluoromethyl)phenyl]methylene]-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide CAS Name: (4R,4aS,5R,5aR,6Z,12aR)-4-(dimethylamino)-5,10,12a-trihydroxy-1,3,11,12-tetraoxo-6-[[4-(trifluoromethyl)phenyl]methylidene]-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide IUPAC Name: (4R,4aS,5R,5aR,6Z,12aR)-4-(dimethylamino)-5,10,12a-trihydroxy-1,3,11,12-tetraoxo-6-[[4-(trifluoromethyl)phenyl]methylidene]-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide Traditional Name: (4R,4aS,5R,5aR,6Z,12aR)-4-(dimethylamino)-5,10,12a-trihydroxy-1,3,11,12-tetraketo-6-[4-(trifluoromethyl)benzylidene]-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide Formula: C29H25F3N2O8 MolecularWeight: 586.51261

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2C(C3C(C(=O)C4=C(C3=CC5=CC=C(C=C5)C(F)(F)F)C=CC=C4O)C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O

Isomeric SMILES

CN(C)[C@@H]1[C@H]2[C@@H]([C@@H]\3C(C(=O)C4=C(/C3=C\C5=CC=C(C=C5)C(F)(F)F)C=CC=C4O)C(=O)[C@]2(C(=O)C(C1=O)C(=O)N)O)O

InChI

InChI=1S/C29H25F3N2O8/c1-34(2)21-20-23(37)17-14(10-11-6-8-12(9-7-11)29(30,31)32)13-4-3-5-15(35)16(13)22(36)18(17)25(39)28(20,42)26(40)19(24(21)38)27(33)41/h3-10,17-21,23,35,37,42H,1-2H3,(H2,33,41)/b14-10+/t17-,18?,19?,20-,21+,23+,28+/m0/s1