2-piperidin-1-ylethyl 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoate hydrochloride

Systemtic Name: 2-piperidin-1-ylethyl 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoate hydrochloride Openeye Name: 2-(1-piperidyl)ethyl 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoate hydrochloride CAS Name: 4-[2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid 2-(1-piperidinyl)ethyl ester hydrochloride IUPAC Name: 2-piperidin-1-ylethyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate hydrochloride Traditional Name: 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoic acid 2-piperidinoethyl ester hydrochloride Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)OCCN3CCCCC3)[N+](=O)[O-].Cl

Isomeric SMILES

C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)OCCN3CCCCC3)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H24N4O4.ClH/c1-2-24-19(22-16-20(24)25(27)28)11-8-17-6-9-18(10-7-17)21(26)29-15-14-23-12-4-3-5-13-23;/h2,6-11,16H,1,3-5,12-15H2;1H