1-methyl-3-[[(1S)-1-phenylethyl]carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-[[(1S)-1-phenylethyl]carbamoyl]pyrazole-4-carboxylate Openeye Name: 1-methyl-3-[[(1S)-1-phenylethyl]carbamoyl]pyrazole-4-carboxylate CAS Name: 1-methyl-3-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-[[(1S)-1-phenylethyl]carbamoyl]pyrazole-4-carboxylate Traditional Name: 1-methyl-3-[[(1S)-1-phenylethyl]carbamoyl]pyrazole-4-carboxylate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=NN(C=C2C(=O)[O-])C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=NN(C=C2C(=O)[O-])C

InChI

InChI=1S/C14H15N3O3/c1-9(10-6-4-3-5-7-10)15-13(18)12-11(14(19)20)8-17(2)16-12/h3-9H,1-2H3,(H,15,18)(H,19,20)/p-1/t9-/m0/s1