(6E)-9-chloranyl-3,3-diethyl-1-methyl-7-phenyl-5H-1,5,6-benzotriazonine-2,4-dione

Systemtic Name: (6E)-9-chloranyl-3,3-diethyl-1-methyl-7-phenyl-5H-1,5,6-benzotriazonine-2,4-dione Openeye Name: (6E)-9-chloro-3,3-diethyl-1-methyl-7-phenyl-5H-1,5,6-benzotriazonine-2,4-dione CAS Name: (6E)-9-chloro-3,3-diethyl-1-methyl-7-phenyl-5H-1,5,6-benzotriazonine-2,4-dione IUPAC Name: (6E)-9-chloro-3,3-diethyl-1-methyl-7-phenyl-5H-1,5,6-benzotriazonine-2,4-dione Traditional Name: (6E)-9-chloro-3,3-diethyl-1-methyl-7-phenyl-5H-1,5,6-benzotriazonine-2,4-quinone Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NN=C(C2=C(C=CC(=C2)Cl)N(C1=O)C)C3=CC=CC=C3)CC

Isomeric SMILES

CCC1(C(=O)N/N=C(/C2=C(C=CC(=C2)Cl)N(C1=O)C)\C3=CC=CC=C3)CC

InChI

InChI=1S/C21H22ClN3O2/c1-4-21(5-2)19(26)24-23-18(14-9-7-6-8-10-14)16-13-15(22)11-12-17(16)25(3)20(21)27/h6-13H,4-5H2,1-3H3,(H,24,26)/b23-18+