4-[5-(4-carboxylato-3-methyl-phenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methyl-benzoate

Systemtic Name: 4-[5-(4-carboxylato-3-methyl-phenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methyl-benzoate Openeye Name: 4-[5-(4-carboxylato-3-methyl-phenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methyl-benzoate CAS Name: 4-[5-(4-carboxylato-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methylbenzoate IUPAC Name: 4-[5-(4-carboxylato-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methylbenzoate Traditional Name: 4-[5-(4-carboxylato-3-methyl-phenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methyl-benzoate Formula: C19H15N3O4-2 MolecularWeight: 349.3401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(N2C)C3=CC(=C(C=C3)C(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(N2C)C3=CC(=C(C=C3)C(=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C19H17N3O4/c1-10-8-12(4-6-14(10)18(23)24)16-20-21-17(22(16)3)13-5-7-15(19(25)26)11(2)9-13/h4-9H,1-3H3,(H,23,24)(H,25,26)/p-2