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

Systemtic Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-cyclopropyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-cyclopropyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-cyclopropyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)-6-methyl-anthranil-5-yl]-5-cyclopropyl-triazole-4-carboxylic acid Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O3/c1-10-8-15-14(19(28-23-15)12-4-6-13(21)7-5-12)9-16(10)25-18(11-2-3-11)17(20(26)27)22-24-25/h4-9,11H,2-3H2,1H3,(H,26,27)