4-[[(1-ethylpyrazol-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-ethylpyrazol-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-ethylpyrazole-4-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-ethylpyrazole-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-ethylpyrazole-4-carbonyl)amino]methyl]benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

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