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

Systemtic Name: N-[bis(azanyl)methylidene]-4-cyclopropylsulfonyl-2-ethyl-5-nitro-benzamide Openeye Name: 4-cyclopropylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide CAS Name: 4-cyclopropylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide IUPAC Name: 4-cyclopropylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide Traditional Name: 4-cyclopropylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide Formula: C13H16N4O5S MolecularWeight: 340.35494

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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)C2CC2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2CC2

InChI

InChI=1S/C13H16N4O5S/c1-2-7-5-11(23(21,22)8-3-4-8)10(17(19)20)6-9(7)12(18)16-13(14)15/h5-6,8H,2-4H2,1H3,(H4,14,15,16,18)