2-chloranyl-4-[1-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[1-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 2-chloro-4-[1-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]benzoic acid CAS Name: 2-chloro-4-[1-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 2-chloro-4-[1-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 2-chloro-4-(5-methyl-1-p-anisyl-1,2,4-triazol-3-yl)benzoic acid Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC2=CC=C(C=C2)OC)C3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC1=NC(=NN1CC2=CC=C(C=C2)OC)C3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C18H16ClN3O3/c1-11-20-17(13-5-8-15(18(23)24)16(19)9-13)21-22(11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,23,24)