[[4-(5-bromanylpyridin-3-yl)-4-oxidanylidene-butyl]-nitroso-amino]methyl ethanoate

Systemtic Name: [[4-(5-bromanylpyridin-3-yl)-4-oxidanylidene-butyl]-nitroso-amino]methyl ethanoate Openeye Name: [[4-(5-bromo-3-pyridyl)-4-oxo-butyl]-nitroso-amino]methyl acetate CAS Name: acetic acid [[4-(5-bromo-3-pyridinyl)-4-oxobutyl]-nitrosoamino]methyl ester IUPAC Name: [[4-(5-bromopyridin-3-yl)-4-oxobutyl]-nitrosoamino]methyl acetate Traditional Name: acetic acid [[4-(5-bromo-3-pyridyl)-4-keto-butyl]-nitroso-amino]methyl ester Formula: C12H14BrN3O4 MolecularWeight: 344.16126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCN(CCCC(=O)C1=CC(=CN=C1)Br)N=O

Isomeric SMILES

CC(=O)OCN(CCCC(=O)C1=CC(=CN=C1)Br)N=O

InChI

InChI=1S/C12H14BrN3O4/c1-9(17)20-8-16(15-19)4-2-3-12(18)10-5-11(13)7-14-6-10/h5-7H,2-4,8H2,1H3