methyl 4-[2-azanyl-3-nitro-5-(trifluoromethyl)phenyl]butanoate

Systemtic Name: methyl 4-[2-azanyl-3-nitro-5-(trifluoromethyl)phenyl]butanoate Openeye Name: methyl 4-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]butanoate CAS Name: 4-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]butanoate Traditional Name: 4-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]butyric acid methyl ester Formula: C12H13F3N2O4 MolecularWeight: 306.23783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)CCCC1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C12H13F3N2O4/c1-21-10(18)4-2-3-7-5-8(12(13,14)15)6-9(11(7)16)17(19)20/h5-6H,2-4,16H2,1H3