1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-triazole-4-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC3=C(C=C2)OCCCO3)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC3=C(C=C2)OCCCO3)C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-2-10-13(14(18)19)15-16-17(10)9-4-5-11-12(8-9)21-7-3-6-20-11/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)