methyl carbamate; 5-prop-2-ynyl-1-[2,3,4-tris(chloranyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: methyl carbamate; 5-prop-2-ynyl-1-[2,3,4-tris(chloranyl)phenyl]pyrazole-4-carbonitrile Openeye Name: methyl carbamate; 5-prop-2-ynyl-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile CAS Name: carbamic acid methyl ester; 5-prop-2-ynyl-1-(2,3,4-trichlorophenyl)-4-pyrazolecarbonitrile IUPAC Name: methyl carbamate; 5-prop-2-ynyl-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile Traditional Name: carbamic acid methyl ester; 5-propargyl-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile Formula: C15H11Cl3N4O2 MolecularWeight: 385.63244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N.C#CCC1=C(C=NN1C2=C(C(=C(C=C2)Cl)Cl)Cl)C#N

Isomeric SMILES

COC(=O)N.C#CCC1=C(C=NN1C2=C(C(=C(C=C2)Cl)Cl)Cl)C#N

InChI

InChI=1S/C13H6Cl3N3.C2H5NO2/c1-2-3-10-8(6-17)7-18-19(10)11-5-4-9(14)12(15)13(11)16;1-5-2(3)4/h1,4-5,7H,3H2;1H3,(H2,3,4)