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

Systemtic Name: 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]pentanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]pentanoic acid CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]pentanoic acid Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]valeric acid Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC(C(=O)O)NC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N4O5/c1-4-5-9(12(18)19)13-10(17)6-15-8(3)11(16(20)21)7(2)14-15/h9H,4-6H2,1-3H3,(H,13,17)(H,18,19)