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2H-1,2,3-triazepin-5-yl benzoate

2H-1,2,3-triazepin-5-yl benzoate

Systemtic Name:2H-1,2,3-triazepin-5-yl benzoate
Openeye Name:2H-triazepin-5-yl benzoate
CAS Name:benzoic acid 2H-triazepin-5-yl ester
IUPAC Name:2H-triazepin-5-yl benzoate
Traditional Name:benzoic acid 2H-triazepin-5-yl ester
Formula: C11H9N3O2
MolecularWeight: 215.20806
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=NNN=C2


Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=NNN=C2


InChI

InChI=1S/C11H9N3O2/c15-11(9-4-2-1-3-5-9)16-10-6-7-12-14-13-8-10/h1-8,14H


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