N-[bis(azanyl)methylidene]-4-butyl-3-methylsulfonyl-2-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-butyl-3-methylsulfonyl-2-nitro-benzamide Openeye Name: 4-butyl-N-(diaminomethylene)-3-methylsulfonyl-2-nitro-benzamide CAS Name: 4-butyl-N-(diaminomethylidene)-3-methylsulfonyl-2-nitrobenzamide IUPAC Name: 4-butyl-N-(diaminomethylidene)-3-methylsulfonyl-2-nitrobenzamide Traditional Name: 4-butyl-N-(diaminomethylene)-3-mesyl-2-nitro-benzamide Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C

InChI

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