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

Systemtic Name: 4-hexoxy-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-hexoxy-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-hexoxy-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-hexoxy-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-hexoxy-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C16H21N4O3- MolecularWeight: 317.36294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=NC2=NC=NN2)[O-])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=NC2=NC=NN2)[O-])OC

InChI

InChI=1S/C16H22N4O3/c1-3-4-5-6-9-23-13-8-7-12(10-14(13)22-2)15(21)19-16-17-11-18-20-16/h7-8,10-11H,3-6,9H2,1-2H3,(H2,17,18,19,20,21)/p-1