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

Systemtic Name: 2-diethylaminoethyl 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 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-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 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-diethylaminoethyl ester hydrochloride Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)C=CC2=NC=C(N2C=C)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)C=CC2=NC=C(N2C=C)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H24N4O4.ClH/c1-4-22(5-2)13-14-28-20(25)17-10-7-16(8-11-17)9-12-18-21-15-19(24(26)27)23(18)6-3;/h6-12,15H,3-5,13-14H2,1-2H3;1H