[[(E)-imidazol-4-ylidene(nitro)methyl]amino] butanoate

Systemtic Name: [[(E)-imidazol-4-ylidene(nitro)methyl]amino] butanoate Openeye Name: [[(E)-imidazol-4-ylidene(nitro)methyl]amino] butanoate CAS Name: butanoic acid [[(E)-4-imidazolylidene(nitro)methyl]amino] ester IUPAC Name: [[(E)-imidazol-4-ylidene(nitro)methyl]amino] butanoate Traditional Name: butyric acid [[(E)-imidazol-4-ylidene(nitro)methyl]amino] ester Formula: C8H10N4O4 MolecularWeight: 226.1894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ONC(=C1C=NC=N1)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)ON/C(=C\1/C=NC=N1)/[N+](=O)[O-]

InChI

InChI=1S/C8H10N4O4/c1-2-3-7(13)16-11-8(12(14)15)6-4-9-5-10-6/h4-5,11H,2-3H2,1H3/b8-6+