4-fluoranyl-5-isocyano-2-methoxy-N-[(3-nitrophenyl)methyl]benzamide

Systemtic Name: 4-fluoranyl-5-isocyano-2-methoxy-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-fluoro-5-isocyano-2-methoxy-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-fluoro-5-isocyano-2-methoxy-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-fluoro-5-isocyano-2-methoxy-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-fluoro-5-isocyano-2-methoxy-N-(3-nitrobenzyl)benzamide Formula: C16H12FN3O4 MolecularWeight: 329.282583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+]#[C-])F

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+]#[C-])F

InChI

InChI=1S/C16H12FN3O4/c1-18-14-7-12(15(24-2)8-13(14)17)16(21)19-9-10-4-3-5-11(6-10)20(22)23/h3-8H,9H2,2H3,(H,19,21)