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

Systemtic Name: 2-ethylhexyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate Openeye Name: 2-ethylhexyl (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-ethylhexyl ester IUPAC Name: 2-ethylhexyl (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-ethylhexyl ester Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC=NC1=C(C(=NN1C)C2=NC=C(N2C)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC(CC)CO/C=N/C1=C(C(=NN1C)C2=NC=C(N2C)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H25N7O3/c1-5-7-8-13(6-2)11-28-12-21-17-14(9-19)16(22-24(17)4)18-20-10-15(23(18)3)25(26)27/h10,12-13H,5-8,11H2,1-4H3/b21-12+