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methyl 3-nitro-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]benzoate

methyl 3-nitro-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]benzoate

Systemtic Name:methyl 3-nitro-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]benzoate
Openeye Name:methyl 3-nitro-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]benzoate
CAS Name:3-nitro-5-[oxo-[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]benzoic acid methyl ester
IUPAC Name:methyl 3-nitro-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]benzoate
Traditional Name:3-nitro-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]benzoic acid methyl ester
Formula: C18H15F3N2O5
MolecularWeight: 396.31731
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C18H15F3N2O5/c1-28-17(25)13-8-12(9-15(10-13)23(26)27)16(24)22-7-6-11-2-4-14(5-3-11)18(19,20)21/h2-5,8-10H,6-7H2,1H3,(H,22,24)


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