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methyl 2-isocyanato-5-nitro-4-(trifluoromethyl)benzoate

methyl 2-isocyanato-5-nitro-4-(trifluoromethyl)benzoate

Systemtic Name:methyl 2-isocyanato-5-nitro-4-(trifluoromethyl)benzoate
Openeye Name:methyl 2-isocyanato-5-nitro-4-(trifluoromethyl)benzoate
CAS Name:2-isocyanato-5-nitro-4-(trifluoromethyl)benzoic acid methyl ester
IUPAC Name:methyl 2-isocyanato-5-nitro-4-(trifluoromethyl)benzoate
Traditional Name:2-isocyanato-5-nitro-4-(trifluoromethyl)benzoic acid methyl ester
Formula: C10H5F3N2O5
MolecularWeight: 290.15231
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1N=C=O)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC(=C(C=C1N=C=O)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C10H5F3N2O5/c1-20-9(17)5-2-8(15(18)19)6(10(11,12)13)3-7(5)14-4-16/h2-3H,1H3


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