2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(1H-1,2,4-triazol-5-yl)acetimidate Formula: C13H12ClN4O3- MolecularWeight: 307.71238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=NC3=NC=NN3)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=NC3=NC=NN3)[O-])Cl)OC1

InChI

InChI=1S/C13H13ClN4O3/c14-9-4-8(5-10-12(9)21-3-1-2-20-10)6-11(19)17-13-15-7-16-18-13/h4-5,7H,1-3,6H2,(H2,15,16,17,18,19)/p-1