2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-[4-(4-nitrophenyl)piperazin-1-yl]propanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-[4-(4-nitrophenyl)piperazin-1-yl]propanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-[4-(4-nitrophenyl)piperazin-1-yl]propanoate CAS Name: 3-[4-(4-nitrophenyl)-1-piperazinyl]propanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3-[4-(4-nitrophenyl)piperazin-1-yl]propanoate Traditional Name: 3-[4-(4-nitrophenyl)piperazino]propionic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C19H24N6O6 MolecularWeight: 432.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O6/c1-15-20-14-18(25(29)30)23(15)12-13-31-19(26)6-7-21-8-10-22(11-9-21)16-2-4-17(5-3-16)24(27)28/h2-5,14H,6-13H2,1H3