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

Systemtic Name: 5-cyclopropyl-1-(6-methoxy-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(6-methoxy-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(6-methoxy-3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(6-methoxy-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(6-methoxy-3-phenyl-anthranil-5-yl)triazole-4-carboxylic acid Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C20H16N4O4/c1-27-16-10-14-13(19(28-22-14)12-5-3-2-4-6-12)9-15(16)24-18(11-7-8-11)17(20(25)26)21-23-24/h2-6,9-11H,7-8H2,1H3,(H,25,26)