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

Systemtic Name: (phenylmethyl) (2S)-3-[1-ethanoyl-2-(4-nitrophenyl)-3-oxidanylidene-pyrazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-3-[1-acetyl-2-(4-nitrophenyl)-3-oxo-pyrazol-4-yl]-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[1-acetyl-2-(4-nitrophenyl)-3-oxo-4-pyrazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[1-acetyl-2-(4-nitrophenyl)-3-oxopyrazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[1-acetyl-3-keto-2-(4-nitrophenyl)-3-pyrazolin-4-yl]-2-(benzyloxycarbonylamino)propionic acid benzyl ester Formula: C29H26N4O8 MolecularWeight: 558.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C=C(C(=O)N1C2=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/C29H26N4O8/c1-20(34)31-17-23(27(35)32(31)24-12-14-25(15-13-24)33(38)39)16-26(28(36)40-18-21-8-4-2-5-9-21)30-29(37)41-19-22-10-6-3-7-11-22/h2-15,17,26H,16,18-19H2,1H3,(H,30,37)/t26-/m0/s1