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

Systemtic Name: 2-methylpropyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate Openeye Name: isobutyl (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-methylpropyl ester IUPAC Name: 2-methylpropyl (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 isobutyl ester Formula: C14H17N7O3 MolecularWeight: 331.32988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N7O3/c1-9(2)7-24-8-17-13-10(5-15)12(18-20(13)4)14-16-6-11(19(14)3)21(22)23/h6,8-9H,7H2,1-4H3/b17-8+