ethyl 2-[7-bromanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoate

Systemtic Name: ethyl 2-[7-bromanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoate Openeye Name: ethyl 2-(7-bromo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)acetate CAS Name: 2-(7-bromo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-bromo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)acetate Traditional Name: 2-(7-bromo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl)acetic acid ethyl ester Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC(=O)NC2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CN1CC(=O)NC2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C13H13BrN2O4/c1-2-20-12(18)7-16-6-11(17)15-10-4-3-8(14)5-9(10)13(16)19/h3-5H,2,6-7H2,1H3,(H,15,17)