N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2,4-dinitro-benzamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2,4-dinitro-benzamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2,4-dinitrobenzamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dinitrobenzamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]-2,4-dinitro-benzamide Formula: C19H15ClFN5O5 MolecularWeight: 447.804303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15ClFN5O5/c1-10-18(11(2)24(23-10)9-14-15(20)4-3-5-16(14)21)22-19(27)13-7-6-12(25(28)29)8-17(13)26(30)31/h3-8H,9H2,1-2H3,(H,22,27)