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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CNN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4

InChI

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