[[(E)-imidazol-4-ylidene(nitro)methyl]amino] 2,2-dimethylpropanoate

Systemtic Name: [[(E)-imidazol-4-ylidene(nitro)methyl]amino] 2,2-dimethylpropanoate Openeye Name: [[(E)-imidazol-4-ylidene(nitro)methyl]amino] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[(E)-4-imidazolylidene(nitro)methyl]amino] ester IUPAC Name: [[(E)-imidazol-4-ylidene(nitro)methyl]amino] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [[(E)-imidazol-4-ylidene(nitro)methyl]amino] ester Formula: C9H12N4O4 MolecularWeight: 240.21598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O4/c1-9(2,3)8(14)17-12-7(13(15)16)6-4-10-5-11-6/h4-5,12H,1-3H3/b7-6+