methyl 3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H9ClF3N3O5 MolecularWeight: 403.69727

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H9ClF3N3O5/c1-27-14(24)8-2-7(3-10(4-8)22(25)26)13(23)21-12-11(16)5-9(6-20-12)15(17,18)19/h2-6H,1H3,(H,20,21,23)