2-chloroethyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate

Systemtic Name: 2-chloroethyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate Openeye Name: 2-chloroethyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate CAS Name: (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-2-imidazolyl)-3-pyrazolyl]methanimidic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitroimidazol-2-yl)pyrazol-3-yl]methanimidate Traditional Name: (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]formimidic acid 2-chloroethyl ester Formula: C12H12ClN7O3 MolecularWeight: 337.72178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C(=C2C#N)N=COCCCl)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C(=C2C#N)/N=C/OCCCl)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN7O3/c1-18-9(20(21)22)6-15-12(18)10-8(5-14)11(19(2)17-10)16-7-23-4-3-13/h6-7H,3-4H2,1-2H3/b16-7+