N-(3-chloranyl-4-fluoranyl-phenyl)-2,4,6-trinitro-benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2,4,6-trinitro-benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2,4,6-trinitro-benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-2,4,6-trinitrobenzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2,4,6-trinitrobenzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2,4,6-trinitro-benzamide Formula: C13H6ClFN4O7 MolecularWeight: 384.660743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)F

InChI

InChI=1S/C13H6ClFN4O7/c14-8-3-6(1-2-9(8)15)16-13(20)12-10(18(23)24)4-7(17(21)22)5-11(12)19(25)26/h1-5H,(H,16,20)