3-methyl-2-[(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-methyl-4-nitro-5-propyl-pyrazole-3-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[(2-methyl-4-nitro-5-propyl-3-pyrazolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-methyl-4-nitro-5-propylpyrazole-3-carbonyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(2-methyl-4-nitro-5-propyl-pyrazole-3-carbonyl)amino]butyric acid Formula: C13H20N4O5 MolecularWeight: 312.3217

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC(C(C)C)C(=O)O)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC(C(C)C)C(=O)O)C

InChI

InChI=1S/C13H20N4O5/c1-5-6-8-10(17(21)22)11(16(4)15-8)12(18)14-9(7(2)3)13(19)20/h7,9H,5-6H2,1-4H3,(H,14,18)(H,19,20)