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

Systemtic Name: (7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl) ethanoate Openeye Name: [7-bromo-2-oxo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate CAS Name: acetic acid [7-bromo-2-oxo-5-(2-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-3-yl] ester IUPAC Name: (7-bromo-2-oxo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate Traditional Name: acetic acid [7-bromo-2-keto-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

Isomeric SMILES

CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

InChI

InChI=1S/C16H12BrN3O3/c1-9(21)23-16-15(22)19-12-6-5-10(17)8-11(12)14(20-16)13-4-2-3-7-18-13/h2-8,16H,1H3,(H,19,22)