[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(3-chloranylphenoxy)propanoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(3-chloranylphenoxy)propanoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2-(3-chlorophenoxy)propanoate CAS Name: 2-(3-chlorophenoxy)propanoic 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-(3-chlorophenoxy)propanoate Traditional Name: 2-(3-chlorophenoxy)propionic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C(C)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-13-10-19(25)23-17-8-3-4-9-18(17)24(13)20(26)12-28-21(27)14(2)29-16-7-5-6-15(22)11-16/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,25)