7-[2-(4-nitropyrazol-1-yl)ethanoylamino]heptanoic acid

Systemtic Name: 7-[2-(4-nitropyrazol-1-yl)ethanoylamino]heptanoic acid Openeye Name: 7-[[2-(4-nitropyrazol-1-yl)acetyl]amino]heptanoic acid CAS Name: 7-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]heptanoic acid IUPAC Name: 7-[[2-(4-nitropyrazol-1-yl)acetyl]amino]heptanoic acid Traditional Name: 7-[[2-(4-nitropyrazol-1-yl)acetyl]amino]enanthic acid Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CC(=O)NCCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CC(=O)NCCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O5/c17-11(9-15-8-10(7-14-15)16(20)21)13-6-4-2-1-3-5-12(18)19/h7-8H,1-6,9H2,(H,13,17)(H,18,19)