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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-nitro-4-propylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-nitro-4-propylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-propylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-propylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-nitro-4-propylsulfonyl-benzamide Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=C(C=C(C(=C1)CC)C(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)C1=C(C=C(C(=C1)CC)C(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c1-3-5-23(21,22)11-6-8(4-2)9(7-10(11)17(19)20)12(18)16-13(14)15/h6-7H,3-5H2,1-2H3,(H4,14,15,16,18)