(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: (7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-tris(chloranyl)ethanoate Openeye Name: (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid (7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl) ester Formula: C18H12Cl4N2O3 MolecularWeight: 446.11148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl4N2O3/c1-24-13-8-7-11(19)9-12(13)14(10-5-3-2-4-6-10)23-15(16(24)25)27-17(26)18(20,21)22/h2-9,15H,1H3