CCN1C=C(N=C1C(=O)OCC)[N+](=O)[O-]
CAS: 683815-48-7
Nombre: ethyl 1-ethyl-4-nitroimidazole-2-carboxylate
SMILES: CCN1C=C(N=C1C(=O)OCC)[N+](=O)[O-]

Molecular Processing

Molecular formula
C8H11N3O4
Molecular weight
213.19
Exact mass
213.075
XLogP
0.99
TPSA
87.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
50.51

Supplementary Information

InChIKey: VVRYUYMABGDVQT-UHFFFAOYSA-N
Sinónimos
ethyl 1-ethyl-4-nitro-1H-imidazole-2-carboxylate683815-48-7ETHYL 1-ETHYL-4-NITROIMIDAZOLE-2-CARBOXYLATEMFCD188321141H-Imidazole-2-carboxylicacid,1-ethyl-4-nitro-,ethylester(9CI)SCHEMBL1594228VVRYUYMABGDVQT-UHFFFAOYSA-NBS-51027E76663ethyl 1-ethyl-4-nitro-imidazole-2-carboxylate
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