N-[bis(azanyl)methylidene]-5-methylsulfonyl-2-nitro-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-5-methylsulfonyl-2-nitro-4-pyrrol-1-yl-benzamide Openeye Name: N-(diaminomethylene)-5-methylsulfonyl-2-nitro-4-pyrrol-1-yl-benzamide CAS Name: N-(diaminomethylidene)-5-methylsulfonyl-2-nitro-4-(1-pyrrolyl)benzamide IUPAC Name: N-(diaminomethylidene)-5-methylsulfonyl-2-nitro-4-pyrrol-1-ylbenzamide Traditional Name: N-(diaminomethylene)-5-mesyl-2-nitro-4-pyrrol-1-yl-benzamide Formula: C13H13N5O5S MolecularWeight: 351.33782

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)[N+](=O)[O-])N2C=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)[N+](=O)[O-])N2C=CC=C2

InChI

InChI=1S/C13H13N5O5S/c1-24(22,23)11-6-8(12(19)16-13(14)15)9(18(20)21)7-10(11)17-4-2-3-5-17/h2-7H,1H3,(H4,14,15,16,19)