7-chloranyl-1-methyl-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-tris(chloranyl)ethanoic acid

Systemtic Name: 7-chloranyl-1-methyl-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-tris(chloranyl)ethanoic acid Openeye Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroacetic acid CAS Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroacetic acid IUPAC Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroacetic acid Traditional Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroacetic acid Formula: C18H14Cl4N2O4 MolecularWeight: 464.12676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3.C(=O)(C(Cl)(Cl)Cl)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3.C(=O)(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C16H13ClN2O2.C2HCl3O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10;3-2(4,5)1(6)7/h2-9,15,20H,1H3;(H,6,7)