N-[bis(azanyl)methylidene]-2-methyl-5-nitro-4-prop-1-en-2-yl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-5-nitro-4-prop-1-en-2-yl-benzamide Openeye Name: N-(diaminomethylene)-4-isopropenyl-2-methyl-5-nitro-benzamide CAS Name: N-(diaminomethylidene)-2-methyl-4-(1-methylethenyl)-5-nitrobenzamide IUPAC Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-prop-1-en-2-ylbenzamide Traditional Name: N-(diaminomethylene)-4-isopropenyl-2-methyl-5-nitro-benzamide Formula: C12H14N4O3 MolecularWeight: 262.26456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=C)C)[N+](=O)[O-])C(=O)N=C(N)N

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=C)C)[N+](=O)[O-])C(=O)N=C(N)N

InChI

InChI=1S/C12H14N4O3/c1-6(2)8-4-7(3)9(5-10(8)16(18)19)11(17)15-12(13)14/h4-5H,1H2,2-3H3,(H4,13,14,15,17)