4-(1-ethylperoxypropan-2-yl)-7-iodanyl-1-methyl-3-phenyl-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 4-(1-ethylperoxypropan-2-yl)-7-iodanyl-1-methyl-3-phenyl-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 4-(2-ethylperoxy-1-methyl-ethyl)-7-iodo-1-methyl-3-phenyl-3H-1,4-benzodiazepine-2,5-dione CAS Name: 4-(1-ethyldioxypropan-2-yl)-7-iodo-1-methyl-3-phenyl-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 4-(1-ethylperoxypropan-2-yl)-7-iodo-1-methyl-3-phenyl-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 4-(2-ethylperoxy-1-methyl-ethyl)-7-iodo-1-methyl-3-phenyl-3H-1,4-benzodiazepine-2,5-quinone Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

CCOOCC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)I)C)C3=CC=CC=C3

Isomeric SMILES

CCOOCC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)I)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23IN2O4/c1-4-27-28-13-14(2)24-19(15-8-6-5-7-9-15)21(26)23(3)18-11-10-16(22)12-17(18)20(24)25/h5-12,14,19H,4,13H2,1-3H3