N-[bis(azanyl)methylidene]-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonyl-benzamide Formula: C17H15F3N4O5S MolecularWeight: 444.38501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O5S/c1-2-9-6-14(13(24(26)27)8-12(9)15(25)23-16(21)22)30(28,29)11-5-3-4-10(7-11)17(18,19)20/h3-8H,2H2,1H3,(H4,21,22,23,25)