2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C16H17BrN6O5 MolecularWeight: 453.24738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C16H17BrN6O5/c1-11-15(17)16(23(27)28)18-21(11)10-14(24)20-8-6-19(7-9-20)12-2-4-13(5-3-12)22(25)26/h2-5H,6-10H2,1H3