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

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3,5-dinitro-benzamide Formula: C17H11ClFN5O5 MolecularWeight: 419.751143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C17H11ClFN5O5/c18-14-2-1-3-15(19)13(14)9-22-5-4-16(21-22)20-17(25)10-6-11(23(26)27)8-12(7-10)24(28)29/h1-8H,9H2,(H,20,21,25)