dipropan-2-yl 1-nitrocyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 1-nitrocyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: diisopropyl 1-nitrocyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: 1-nitrocyclohexa-3,5-diene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 1-nitrocyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: 1-nitrocyclohexa-3,5-diene-1,3-dicarboxylic acid diisopropyl ester Formula: C14H19NO6 MolecularWeight: 297.30376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6/c1-9(2)20-12(16)11-6-5-7-14(8-11,15(18)19)13(17)21-10(3)4/h5-7,9-10H,8H2,1-4H3