methyl 2-(7-bromanyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: methyl 2-(7-bromanyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: methyl 2-(7-bromo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(7-bromo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-bromo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(7-bromo-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid methyl ester Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)Br)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)Br)NC(C1=O)CC(=O)OC

InChI

InChI=1S/C13H15BrN2O3/c1-16-7-8-5-9(14)3-4-10(8)15-11(13(16)18)6-12(17)19-2/h3-5,11,15H,6-7H2,1-2H3