N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C17H14N5O3- MolecularWeight: 336.32476

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N=C(C3=CC=CC(=C3)C4=NNN=N4)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N=C(C3=CC=CC(=C3)C4=NNN=N4)[O-])OC1

InChI

InChI=1S/C17H15N5O3/c23-17(12-4-1-3-11(9-12)16-19-21-22-20-16)18-13-5-6-14-15(10-13)25-8-2-7-24-14/h1,3-6,9-10H,2,7-8H2,(H,18,23)(H,19,20,21,22)/p-1