N-[bis(azanyl)methylidene]-2-ethyl-4-methylsulfonyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-methylsulfonyl-5-nitro-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-methylsulfonyl-5-nitro-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-methylsulfonyl-5-nitrobenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-methylsulfonyl-5-nitrobenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-mesyl-5-nitro-benzamide Formula: C11H14N4O5S MolecularWeight: 314.31766

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O5S/c1-3-6-4-9(21(2,19)20)8(15(17)18)5-7(6)10(16)14-11(12)13/h4-5H,3H2,1-2H3,(H4,12,13,14,16)