[(2R)-4-(4-methoxyphenyl)butan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2R)-4-(4-methoxyphenyl)butan-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1R)-3-(4-methoxyphenyl)-1-methyl-propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2R)-4-(4-methoxyphenyl)butan-2-yl] ester IUPAC Name: [(2R)-4-(4-methoxyphenyl)butan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R)-3-(4-methoxyphenyl)-1-methyl-propyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7/c1-12(3-4-13-5-7-17(26-2)8-6-13)27-18(21)14-9-15(19(22)23)11-16(10-14)20(24)25/h5-12H,3-4H2,1-2H3/t12-/m1/s1