N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-4-[(4-bromanylphenoxy)methyl]benzamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-4-[(4-bromanylphenoxy)methyl]benzamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-4-[(4-bromophenoxy)methyl]benzamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-4-[(4-bromophenoxy)methyl]benzamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-4-[(4-bromophenoxy)methyl]benzamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-4-[(4-bromophenoxy)methyl]benzamide Formula: C23H20BrN5O2 MolecularWeight: 478.3412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Br)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Br)/CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H20BrN5O2/c1-16(14-29-22-5-3-2-4-21(22)26-28-29)25-27-23(30)18-8-6-17(7-9-18)15-31-20-12-10-19(24)11-13-20/h2-13H,14-15H2,1H3,(H,27,30)/b25-16+