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

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfonyl-benzamide Formula: C16H13F3N4O5S MolecularWeight: 430.35843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C16H13F3N4O5S/c1-8-5-13(12(23(25)26)7-11(8)14(24)22-15(20)21)29(27,28)10-4-2-3-9(6-10)16(17,18)19/h2-7H,1H3,(H4,20,21,22,24)