1-methyl-3-[[(1R)-3-oxidanidyl-3-oxidanylidene-1-phenyl-propyl]carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-[[(1R)-3-oxidanidyl-3-oxidanylidene-1-phenyl-propyl]carbamoyl]pyrazole-4-carboxylate Openeye Name: 1-methyl-3-[[(1R)-3-oxido-3-oxo-1-phenyl-propyl]carbamoyl]pyrazole-4-carboxylate CAS Name: 1-methyl-3-[[[(1R)-3-oxido-3-oxo-1-phenylpropyl]amino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-[[(1R)-3-oxido-3-oxo-1-phenylpropyl]carbamoyl]pyrazole-4-carboxylate Traditional Name: 3-[[(1R)-3-keto-3-oxido-1-phenyl-propyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C15H13N3O5-2 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-18-8-10(15(22)23)13(17-18)14(21)16-11(7-12(19)20)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,16,21)(H,19,20)(H,22,23)/p-2/t11-/m1/s1