[(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)OC)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C15H15N3O5/c1-10(13(19)17-15(21)22-2)23-14(20)11-4-6-12(7-5-11)18-9-3-8-16-18/h3-10H,1-2H3,(H,17,19,21)/t10-/m0/s1