N-(2-cyano-4-nitro-phenyl)-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-(2-cyano-4-nitrophenyl)-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C14H12IN5O3 MolecularWeight: 425.18125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1I)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NN(C=C1I)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H12IN5O3/c1-9-12(15)8-19(18-9)5-4-14(21)17-13-3-2-11(20(22)23)6-10(13)7-16/h2-3,6,8H,4-5H2,1H3,(H,17,21)