[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] 2,2-dimethylpropanoate Openeye Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C20H18BrClN2O3 MolecularWeight: 449.72552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H18BrClN2O3/c1-20(2,3)19(26)27-18-17(25)23-15-9-8-11(21)10-13(15)16(24-18)12-6-4-5-7-14(12)22/h4-10,18H,1-3H3,(H,23,25)