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

Systemtic Name: 2-methylbut-3-yn-2-yl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: 1,1-dimethylprop-2-ynyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid 2-methylbut-3-yn-2-yl ester IUPAC Name: 2-methylbut-3-yn-2-yl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid 1,1-dimethylprop-2-ynyl ester Formula: C18H13Cl2NO5 MolecularWeight: 394.20552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13Cl2NO5/c1-4-18(2,3)26-17(22)13-10-12(6-7-15(13)21(23)24)25-16-8-5-11(19)9-14(16)20/h1,5-10H,2-3H3