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[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name:[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate
Openeye Name:[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] adamantane-1-carboxylate
CAS Name:1-adamantanecarboxylic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester
IUPAC Name:[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] adamantane-1-carboxylate
Traditional Name:adamantane-1-carboxylic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester
Formula: C20H21F3N2O5
MolecularWeight: 426.38635
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F


InChI

InChI=1S/C20H21F3N2O5/c21-20(22,23)15-6-14(25(28)29)1-2-16(15)24-17(26)10-30-18(27)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H,24,26)


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