sodium 4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: sodium 4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: sodium 4-[2,6-dinitro-4-(trifluoromethyl)anilino]butanoate CAS Name: sodium 4-[2,6-dinitro-4-(trifluoromethyl)anilino]butanoate IUPAC Name: sodium 4-[2,6-dinitro-4-(trifluoromethyl)anilino]butanoate Traditional Name: sodium 4-[2,6-dinitro-4-(trifluoromethyl)anilino]butyrate Formula: C11H9F3N3NaO6 MolecularWeight: 359.19064

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCCCC(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCCCC(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+]

InChI

InChI=1S/C11H10F3N3O6.Na/c12-11(13,14)6-4-7(16(20)21)10(8(5-6)17(22)23)15-3-1-2-9(18)19;/h4-5,15H,1-3H2,(H,18,19);/q;+1/p-1