N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(3-bromanylphenoxy)ethanamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(3-bromanylphenoxy)ethanamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(3-bromophenoxy)acetamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-(3-bromophenoxy)acetamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(3-bromophenoxy)acetamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(3-bromophenoxy)acetamide Formula: C17H16BrN5O2 MolecularWeight: 402.24524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)COC1=CC(=CC=C1)Br)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\NC(=O)COC1=CC(=CC=C1)Br)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16BrN5O2/c1-12(10-23-16-8-3-2-7-15(16)20-22-23)19-21-17(24)11-25-14-6-4-5-13(18)9-14/h2-9H,10-11H2,1H3,(H,21,24)/b19-12+