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

Systemtic Name: N-[bis(azanyl)methylidene]-4-cyclopropylsulfonyl-2-methyl-5-nitro-benzamide Openeye Name: 4-cyclopropylsulfonyl-N-(diaminomethylene)-2-methyl-5-nitro-benzamide CAS Name: 4-cyclopropylsulfonyl-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide IUPAC Name: 4-cyclopropylsulfonyl-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide Traditional Name: 4-cyclopropylsulfonyl-N-(diaminomethylene)-2-methyl-5-nitro-benzamide Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2CC2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2CC2

InChI

InChI=1S/C12H14N4O5S/c1-6-4-10(22(20,21)7-2-3-7)9(16(18)19)5-8(6)11(17)15-12(13)14/h4-5,7H,2-3H2,1H3,(H4,13,14,15,17)