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

Systemtic Name: N-[bis(azanyl)methylidene]-4-cyclobutylsulfonyl-2-ethyl-5-nitro-benzamide Openeye Name: 4-cyclobutylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide CAS Name: 4-cyclobutylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide IUPAC Name: 4-cyclobutylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide Traditional Name: 4-cyclobutylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide Formula: C14H18N4O5S MolecularWeight: 354.38152

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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)C2CCC2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2CCC2

InChI

InChI=1S/C14H18N4O5S/c1-2-8-6-12(24(22,23)9-4-3-5-9)11(18(20)21)7-10(8)13(19)17-14(15)16/h6-7,9H,2-5H2,1H3,(H4,15,16,17,19)