1-[(9Z)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,10a,12-tetrakis(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[4-chloranyl-2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[(9Z)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,10a,12-tetrakis(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[4-chloranyl-2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[(9Z)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea CAS Name: 1-[(9Z)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[(9Z)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[(9Z)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-8,10,11-triketo-5-methyl-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea Formula: C30H28ClF3N4O9 MolecularWeight: 681.01293

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F)O)O)N(C)C)O

Isomeric SMILES

CC1C2C(C3C(C(=O)/C(=C(\N)/O)/C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F)O)O)N(C)C)O

InChI

InChI=1S/C30H28ClF3N4O9/c1-9-11-5-7-14(37-28(46)36-13-6-4-10(31)8-12(13)30(32,33)34)21(39)16(11)22(40)17-15(9)23(41)19-20(38(2)3)24(42)18(27(35)45)26(44)29(19,47)25(17)43/h4-9,15,19-20,23,39-41,45,47H,35H2,1-3H3,(H2,36,37,46)/b27-18-