4-[[(1,5-dimethylpyrazol-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: 4-[[(1,5-dimethylpyrazol-4-yl)carbonylamino]methyl]benzoate Openeye Name: 4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(1,5-dimethyl-4-pyrazolyl)-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]benzoate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)C(=O)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c1-9-12(8-16-17(9)2)13(18)15-7-10-3-5-11(6-4-10)14(19)20/h3-6,8H,7H2,1-2H3,(H,15,18)(H,19,20)/p-1