[2-methyl-1-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] pentanoate

Systemtic Name: [2-methyl-1-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] pentanoate Openeye Name: [1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)anilino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-methyl-1-[4-nitro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [2-methyl-1-[4-nitro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] pentanoate Traditional Name: valeric acid [2-keto-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)anilino]ethyl] ester Formula: C16H19F3N2O5 MolecularWeight: 376.32767

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCC(=O)OC(C)(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H19F3N2O5/c1-4-5-6-13(22)26-15(2,3)14(23)20-10-7-8-12(21(24)25)11(9-10)16(17,18)19/h7-9H,4-6H2,1-3H3,(H,20,23)