N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboximidate

Systemtic Name: N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboximidate Openeye Name: N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboximidate CAS Name: N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboximidate IUPAC Name: N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboximidate Traditional Name: N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboximidate Formula: C12H11N4O3- MolecularWeight: 259.24074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3/c17-11(15-12-13-7-14-16-12)8-2-3-9-10(6-8)19-5-1-4-18-9/h2-3,6-7H,1,4-5H2,(H2,13,14,15,16,17)/p-1