CCOC(=O)C1=NC(=CN1C)[N+](=O)[O-]
Nombre: ethyl 1-methyl-4-nitroimidazole-2-carboxylate
SMILES: CCOC(=O)C1=NC(=CN1C)[N+](=O)[O-]

Molecular Processing

Molecular formula
C7H9N3O4
Molecular weight
199.17
Exact mass
199.0593
XLogP
0.5
TPSA
87.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
14
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
0.429
Molar refractivity
45.82

Supplementary Information

InChIKey: QGTGFMLXIBQONB-UHFFFAOYSA-N
Sinónimos
ethyl 1-methyl-4-nitroimidazole-2-carboxylateethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylateMFCD03789110ethyl 4-nitro-1-methylimidazole-2-carboxylateethyl 1-methyl-4-nitro-imidazole-2-carboxylate1-Methyl-4-nitroimidazole-2-carboxylic acid ethyl esterSCHEMBL1594419DTXSID60374537QGTGFMLXIBQONB-UHFFFAOYSA-NSBB0924201H-IMIDAZOLE-2-CARBOXYLIC ACID, 1-METHYL-4-NITRO-, ETHYL ESTERAKOS006277851AB16105CS-W001046DS-0233SY030991DB-059804Ethyl 1-methyl4-nitroimidazole-2-carboxyiateEthyl-1-methyl-4-nitroimidazole-2-carboxylateethyl1-methyl-4-nitro-1H-imidazole-2-carboxylateF018813A1-447361H-Imidazole-2-carboxylicacid,1-methyl-4-nitro-,ethyl ester
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