N-(4-chloranyl-2-fluoranyl-phenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide Formula: C17H11ClFN5O5 MolecularWeight: 419.751143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

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