but-3-yn-2-yl 5-[2,4-bis(chloranyl)-6-fluoranyl-phenoxy]-2-nitro-benzoate

Systemtic Name: but-3-yn-2-yl 5-[2,4-bis(chloranyl)-6-fluoranyl-phenoxy]-2-nitro-benzoate Openeye Name: 1-methylprop-2-ynyl 5-(2,4-dichloro-6-fluoro-phenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichloro-6-fluorophenoxy)-2-nitrobenzoic acid but-3-yn-2-yl ester IUPAC Name: but-3-yn-2-yl 5-(2,4-dichloro-6-fluorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichloro-6-fluoro-phenoxy)-2-nitro-benzoic acid 1-methylprop-2-ynyl ester Formula: C17H10Cl2FNO5 MolecularWeight: 398.169403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2F)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C#C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2F)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H10Cl2FNO5/c1-3-9(2)25-17(22)12-8-11(4-5-15(12)21(23)24)26-16-13(19)6-10(18)7-14(16)20/h1,4-9H,2H3