methyl 4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: methyl 4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: methyl 4-[2-nitro-4-(trifluoromethyl)anilino]butanoate CAS Name: 4-[2-nitro-4-(trifluoromethyl)anilino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-nitro-4-(trifluoromethyl)anilino]butanoate Traditional Name: 4-[2-nitro-4-(trifluoromethyl)anilino]butyric acid methyl ester Formula: C12H13F3N2O4 MolecularWeight: 306.23783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N2O4/c1-21-11(18)3-2-6-16-9-5-4-8(12(13,14)15)7-10(9)17(19)20/h4-5,7,16H,2-3,6H2,1H3