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

Systemtic Name: 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-methyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxylic acid Formula: C17H12N4O3 MolecularWeight: 320.30218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C17H12N4O3/c1-10-15(17(22)23)18-20-21(10)12-7-8-14-13(9-12)16(24-19-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23)