4-[4-[(2-bromophenyl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(2-bromophenyl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(2-bromobenzoyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(2-bromophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(2-bromobenzoyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(2-bromobenzoyl)amino]pyrazol-1-yl]butyrate Formula: C14H13BrN3O3- MolecularWeight: 351.17532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CN(N=C2)CCCC(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CN(N=C2)CCCC(=O)[O-])Br

InChI

InChI=1S/C14H14BrN3O3/c15-12-5-2-1-4-11(12)14(21)17-10-8-16-18(9-10)7-3-6-13(19)20/h1-2,4-5,8-9H,3,6-7H2,(H,17,21)(H,19,20)/p-1