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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-ethylsulfonyl-5-nitro-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-ethylsulfonyl-5-nitro-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-ethylsulfonyl-5-nitrobenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-ethylsulfonyl-5-nitrobenzamide Traditional Name: N-(diaminomethylene)-4-esyl-2-ethyl-5-nitro-benzamide Formula: C12H16N4O5S MolecularWeight: 328.34424

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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)CC

Isomeric SMILES

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

InChI

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