2-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: 2-[[1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[1-(2-cyanoethyl)-3-phenylpyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carbonyl]amino]acetate Formula: C15H13N4O3- MolecularWeight: 297.28872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)[O-])CCC#N

InChI

InChI=1S/C15H14N4O3/c16-7-4-8-19-10-12(15(22)17-9-13(20)21)14(18-19)11-5-2-1-3-6-11/h1-3,5-6,10H,4,8-9H2,(H,17,22)(H,20,21)/p-1