methyl 3-bromanyl-4-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethoxy]benzoic acid methyl ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O5/c1-12-9-18(24)22-15-5-3-4-6-16(15)23(12)19(25)11-28-17-8-7-13(10-14(17)21)20(26)27-2/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)