(7-bromanyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid (7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid (7-bromo-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C17H10BrF3N2O3 MolecularWeight: 427.17211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)C(F)(F)F

InChI

InChI=1S/C17H10BrF3N2O3/c18-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)23-15(14(24)22-12)26-16(25)17(19,20)21/h1-8,15H,(H,22,24)