[(2-methylpropan-2-yl)oxycarbonyl-[3-(trifluoromethyl)phenyl]amino] 4-nitrobenzoate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonyl-[3-(trifluoromethyl)phenyl]amino] 4-nitrobenzoate Openeye Name: [N-tert-butoxycarbonyl-3-(trifluoromethyl)anilino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [N-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(trifluoromethyl)anilino] ester IUPAC Name: [N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [N-tert-butoxycarbonyl-3-(trifluoromethyl)anilino] ester Formula: C19H17F3N2O6 MolecularWeight: 426.34329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N2O6/c1-18(2,3)29-17(26)23(15-6-4-5-13(11-15)19(20,21)22)30-16(25)12-7-9-14(10-8-12)24(27)28/h4-11H,1-3H3