3-bromanyl-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxy-benzoic acid CAS Name: 3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxybenzoic acid Traditional Name: 3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxy-benzoic acid Formula: C13H14BrN3O4 MolecularWeight: 356.17196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)COC2=C(C=C(C=C2Br)C(=O)O)OC

Isomeric SMILES

CC1=NN=C(N1C)COC2=C(C=C(C=C2Br)C(=O)O)OC

InChI

InChI=1S/C13H14BrN3O4/c1-7-15-16-11(17(7)2)6-21-12-9(14)4-8(13(18)19)5-10(12)20-3/h4-5H,6H2,1-3H3,(H,18,19)