4-[(2-chloranylethanoylamino)methyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(2-chloranylethanoylamino)methyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[[(2-chloroacetyl)amino]methyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[[(2-chloro-1-oxoethyl)amino]methyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[[(2-chloroacetyl)amino]methyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[[(2-chloroacetyl)amino]methyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C13H13ClN3O2- MolecularWeight: 278.71422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC(=O)CCl)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1CNC(=O)CCl)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H14ClN3O2/c1-9-11(8-15-12(18)7-14)13(19)17(16-9)10-5-3-2-4-6-10/h2-6,19H,7-8H2,1H3,(H,15,18)/p-1