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

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-5-nitro-4-pentan-3-ylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-4-(1-ethylpropylsulfonyl)-2-methyl-5-nitro-benzamide CAS Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-pentan-3-ylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-pentan-3-ylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-4-(1-ethylpropylsulfonyl)-2-methyl-5-nitro-benzamide Formula: C14H20N4O5S MolecularWeight: 356.3974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5S/c1-4-9(5-2)24(22,23)12-6-8(3)10(7-11(12)18(20)21)13(19)17-14(15)16/h6-7,9H,4-5H2,1-3H3,(H4,15,16,17,19)