2-diethylaminoethyl 4-nitro-1H-imidazole-5-carboxylate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-nitro-1H-imidazole-5-carboxylate hydrochloride Openeye Name: 2-diethylaminoethyl 4-nitro-1H-imidazole-5-carboxylate hydrochloride CAS Name: 4-nitro-1H-imidazole-5-carboxylic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-nitro-1H-imidazole-5-carboxylate hydrochloride Traditional Name: 4-nitro-1H-imidazole-5-carboxylic acid 2-diethylaminoethyl ester hydrochloride Formula: C10H17ClN4O4 MolecularWeight: 292.71938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(N=CN1)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(N=CN1)[N+](=O)[O-].Cl

InChI

InChI=1S/C10H16N4O4.ClH/c1-3-13(4-2)5-6-18-10(15)8-9(14(16)17)12-7-11-8;/h7H,3-6H2,1-2H3,(H,11,12);1H