N-[bis(azanyl)methylidene]-4-(4-methoxyphenyl)-3-methylsulfonyl-2-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(4-methoxyphenyl)-3-methylsulfonyl-2-nitro-benzamide Openeye Name: N-(diaminomethylene)-4-(4-methoxyphenyl)-3-methylsulfonyl-2-nitro-benzamide CAS Name: N-(diaminomethylidene)-4-(4-methoxyphenyl)-3-methylsulfonyl-2-nitrobenzamide IUPAC Name: N-(diaminomethylidene)-4-(4-methoxyphenyl)-3-methylsulfonyl-2-nitrobenzamide Traditional Name: N-(diaminomethylene)-3-mesyl-4-(4-methoxyphenyl)-2-nitro-benzamide Formula: C16H16N4O6S MolecularWeight: 392.38644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H16N4O6S/c1-26-10-5-3-9(4-6-10)11-7-8-12(15(21)19-16(17)18)13(20(22)23)14(11)27(2,24)25/h3-8H,1-2H3,(H4,17,18,19,21)