[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoate

Systemtic Name: [5-methyl-2-(4-nitrophenyl)pyrazol-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoate Openeye Name: [5-methyl-2-(4-nitrophenyl)pyrazol-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methylpentanoic acid [5-methyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-nitrophenyl)pyrazol-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-valeric acid [5-methyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C31H30N4O6 MolecularWeight: 554.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C31H30N4O6/c1-4-19(2)29(30(36)41-28-17-20(3)33-34(28)21-13-15-22(16-14-21)35(38)39)32-31(37)40-18-27-25-11-7-5-9-23(25)24-10-6-8-12-26(24)27/h5-17,19,27,29H,4,18H2,1-3H3,(H,32,37)/t19-,29-/m0/s1