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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5S/c1-4-8-5-11(23(21,22)7(2)3)10(17(19)20)6-9(8)12(18)16-13(14)15/h5-7H,4H2,1-3H3,(H4,14,15,16,18)