4-[(1-phenylpyrazol-4-yl)carbonylamino]butanoate

Systemtic Name: 4-[(1-phenylpyrazol-4-yl)carbonylamino]butanoate Openeye Name: 4-[(1-phenylpyrazole-4-carbonyl)amino]butanoate CAS Name: 4-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]butanoate IUPAC Name: 4-[(1-phenylpyrazole-4-carbonyl)amino]butanoate Traditional Name: 4-[(1-phenylpyrazole-4-carbonyl)amino]butyrate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c18-13(19)7-4-8-15-14(20)11-9-16-17(10-11)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,15,20)(H,18,19)/p-1