[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2-(2-bromo-4-chloro-phenoxy)acetate CAS Name: 2-(2-bromo-4-chlorophenoxy)acetic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate Traditional Name: 2-(2-bromo-4-chloro-phenoxy)acetic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C20H18BrClN2O5 MolecularWeight: 481.72432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)COC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C20H18BrClN2O5/c1-12-8-18(25)23-15-4-2-3-5-16(15)24(12)19(26)10-29-20(27)11-28-17-7-6-13(22)9-14(17)21/h2-7,9,12H,8,10-11H2,1H3,(H,23,25)