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

Systemtic Name: 5-cyclopropyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(6-methyl-3-phenyl-anthranil-5-yl)triazole-4-carboxylic acid Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C20H16N4O3/c1-11-9-15-14(19(27-22-15)13-5-3-2-4-6-13)10-16(11)24-18(12-7-8-12)17(20(25)26)21-23-24/h2-6,9-10,12H,7-8H2,1H3,(H,25,26)