5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxylic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H14N4O3/c1-2-15-16(18(23)24)19-21-22(15)12-8-9-14-13(10-12)17(25-20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,23,24)