1-(2-diethylaminoethylamino)-4-nitro-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-nitro-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitro-thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitro-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitrothioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitro-thioxanthen-9-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C19H21N3O4S/c1-3-21(4-2)10-9-20-14-6-7-15(22(25)26)19-17(14)18(24)13-11-12(23)5-8-16(13)27-19/h5-8,11,20,23H,3-4,9-10H2,1-2H3