1-methyl-5-[[(2S)-4-methyl-1-oxidanidyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-[[(2S)-4-methyl-1-oxidanidyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrazole-4-carboxylate Openeye Name: 5-[[(1S)-1-carboxylato-3-methyl-butyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[[(2S)-4-methyl-1-oxido-1-oxopentan-2-yl]amino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-[[(2S)-4-methyl-1-oxido-1-oxopentan-2-yl]carbamoyl]pyrazole-4-carboxylate Traditional Name: 5-[[(1S)-1-carboxylato-3-methyl-butyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C12H15N3O5-2 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1=C(C=NN1C)C(=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C1=C(C=NN1C)C(=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-6(2)4-8(12(19)20)14-10(16)9-7(11(17)18)5-13-15(9)3/h5-6,8H,4H2,1-3H3,(H,14,16)(H,17,18)(H,19,20)/p-2/t8-/m0/s1