5-(furan-2-yl)-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(furan-2-yl)-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(2-furyl)-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-(2-furanyl)-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-(furan-2-yl)-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-(2-furyl)-1-(6-methyl-3-phenyl-anthranil-5-yl)triazole-4-carboxylic acid Formula: C21H14N4O4 MolecularWeight: 386.36026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C21H14N4O4/c1-12-10-15-14(20(29-23-15)13-6-3-2-4-7-13)11-16(12)25-19(17-8-5-9-28-17)18(21(26)27)22-24-25/h2-11H,1H3,(H,26,27)