3-bromanyl-5-methoxy-4-phenylmethoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 3-bromanyl-5-methoxy-4-phenylmethoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-benzyloxy-3-bromo-5-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 3-bromo-5-methoxy-4-phenylmethoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C17H14BrN4O3- MolecularWeight: 402.22206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=NC2=NC=NN2)[O-])Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=NC2=NC=NN2)[O-])Br)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4O3/c1-24-14-8-12(16(23)21-17-19-10-20-22-17)7-13(18)15(14)25-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,19,20,21,22,23)/p-1