3-[4-(2,5-dimethyl-4-nitro-pyrazol-3-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2,5-dimethyl-4-nitro-pyrazol-3-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2,5-dimethyl-4-nitro-pyrazol-3-yl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(2,5-dimethyl-4-nitro-3-pyrazolyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2,5-dimethyl-4-nitropyrazol-3-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2,5-dimethyl-4-nitro-pyrazol-3-yl)piperazino]propionic acid Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])N2CCN(CC2)CCC(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])N2CCN(CC2)CCC(=O)O)C

InChI

InChI=1S/C12H19N5O4/c1-9-11(17(20)21)12(14(2)13-9)16-7-5-15(6-8-16)4-3-10(18)19/h3-8H2,1-2H3,(H,18,19)