dipropan-2-yl 5-[(4-nitrophenyl)methyl]-3-octyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(4-nitrophenyl)methyl]-3-octyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate Openeye Name: diisopropyl 5-[(4-nitrophenyl)methyl]-3-octyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate CAS Name: 5-[(4-nitrophenyl)methyl]-3-octyl-4-pentyl-3H-pyrazole-1,2-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-nitrophenyl)methyl]-3-octyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate Traditional Name: 4-amyl-3-(4-nitrobenzyl)-5-octyl-3-pyrazoline-1,2-dicarboxylic acid diisopropyl ester Formula: C31H49N3O6 MolecularWeight: 559.73726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(=C(N(N1C(=O)OC(C)C)C(=O)OC(C)C)CC2=CC=C(C=C2)[N+](=O)[O-])CCCCC

Isomeric SMILES

CCCCCCCCC1C(=C(N(N1C(=O)OC(C)C)C(=O)OC(C)C)CC2=CC=C(C=C2)[N+](=O)[O-])CCCCC

InChI

InChI=1S/C31H49N3O6/c1-7-9-11-12-13-15-17-28-27(16-14-10-8-2)29(22-25-18-20-26(21-19-25)34(37)38)33(31(36)40-24(5)6)32(28)30(35)39-23(3)4/h18-21,23-24,28H,7-17,22H2,1-6H3