N-[bis(azanyl)methylidene]-2-ethyl-5-nitro-4-pentan-3-ylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-nitro-4-pentan-3-ylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(1-ethylpropylsulfonyl)-5-nitro-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-pentan-3-ylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-pentan-3-ylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-(1-ethylpropylsulfonyl)-5-nitro-benzamide Formula: C15H22N4O5S MolecularWeight: 370.42398

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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)C(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O5S/c1-4-9-7-13(25(23,24)10(5-2)6-3)12(19(21)22)8-11(9)14(20)18-15(16)17/h7-8,10H,4-6H2,1-3H3,(H4,16,17,18,20)