methyl 3-(4-fluoranyl-3-nitro-phenyl)-2-isocyano-propanoate

Systemtic Name: methyl 3-(4-fluoranyl-3-nitro-phenyl)-2-isocyano-propanoate Openeye Name: methyl 3-(4-fluoro-3-nitro-phenyl)-2-isocyano-propanoate CAS Name: 3-(4-fluoro-3-nitrophenyl)-2-isocyanopropanoic acid methyl ester IUPAC Name: methyl 3-(4-fluoro-3-nitrophenyl)-2-isocyanopropanoate Traditional Name: 3-(4-fluoro-3-nitro-phenyl)-2-isocyano-propionic acid methyl ester Formula: C11H9FN2O4 MolecularWeight: 252.198563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)F)[N+](=O)[O-])[N+]#[C-]

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C=C1)F)[N+](=O)[O-])[N+]#[C-]

InChI

InChI=1S/C11H9FN2O4/c1-13-9(11(15)18-2)5-7-3-4-8(12)10(6-7)14(16)17/h3-4,6,9H,5H2,2H3