methyl 3-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]carbamoyloxy]but-3-enoate

Systemtic Name: methyl 3-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]carbamoyloxy]but-3-enoate Openeye Name: methyl 3-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]carbamoyloxy]but-3-enoate CAS Name: 3-methyl-2-[[2-nitro-4-(trifluoromethyl)anilino]-oxomethoxy]-3-butenoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]carbamoyloxy]but-3-enoate Traditional Name: 3-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]carbamoyloxy]but-3-enoic acid methyl ester Formula: C14H13F3N2O6 MolecularWeight: 362.25803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O6/c1-7(2)11(12(20)24-3)25-13(21)18-9-5-4-8(14(15,16)17)6-10(9)19(22)23/h4-6,11H,1H2,2-3H3,(H,18,21)