4-[4-[(4-chlorophenyl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(4-chlorophenyl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(4-chlorobenzoyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(4-chlorophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(4-chlorobenzoyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(4-chlorobenzoyl)amino]pyrazol-1-yl]butyrate Formula: C14H13ClN3O3- MolecularWeight: 306.72432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CN(N=C2)CCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CN(N=C2)CCCC(=O)[O-])Cl

InChI

InChI=1S/C14H14ClN3O3/c15-11-5-3-10(4-6-11)14(21)17-12-8-16-18(9-12)7-1-2-13(19)20/h3-6,8-9H,1-2,7H2,(H,17,21)(H,19,20)/p-1