(phenylmethyl) (2S)-3-[1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-[1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-[1-(4-nitrophenyl)-5-oxo-4H-pyrazol-3-yl]propanoate CAS Name: (2S)-3-[1-(4-nitrophenyl)-5-oxo-4H-pyrazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[1-(4-nitrophenyl)-5-oxo-4H-pyrazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[5-keto-1-(4-nitrophenyl)-2-pyrazolin-3-yl]propionic acid benzyl ester Formula: C27H24N4O7 MolecularWeight: 516.50206

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O7/c32-25-16-21(29-30(25)22-11-13-23(14-12-22)31(35)36)15-24(26(33)37-17-19-7-3-1-4-8-19)28-27(34)38-18-20-9-5-2-6-10-20/h1-14,24H,15-18H2,(H,28,34)/t24-/m0/s1