4-[[[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]methyl]benzonitrile CAS Name: 4-[[[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]methyl]benzonitrile IUPAC Name: 4-[[[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]methyl]benzonitrile Formula: C31H33N5O7 MolecularWeight: 587.62302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NCC5=CC=C(C=C5)C#N)O)C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NCC5=CC=C(C=C5)C#N)O)C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O

InChI

InChI=1S/C31H33N5O7/c1-35(2)20-11-19(34-13-15-7-5-14(12-32)6-8-15)25(37)22-17(20)9-16-10-18-24(36(3)4)27(39)23(30(33)42)29(41)31(18,43)28(40)21(16)26(22)38/h5-8,11,16,18,24,34,37-38,42-43H,9-10,13,33H2,1-4H3/b30-23+