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

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-5-nitro-4-propylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-methyl-5-nitro-4-propylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-propylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-propylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-methyl-5-nitro-4-propylsulfonyl-benzamide Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5S/c1-3-4-22(20,21)10-5-7(2)8(6-9(10)16(18)19)11(17)15-12(13)14/h5-6H,3-4H2,1-2H3,(H4,13,14,15,17)