(2,2,5,7,8-pentamethyl-4-oxidanylidene-3H-chromen-6-yl) 4-nitrobenzoate

Systemtic Name: (2,2,5,7,8-pentamethyl-4-oxidanylidene-3H-chromen-6-yl) 4-nitrobenzoate Openeye Name: (2,2,5,7,8-pentamethyl-4-oxo-chroman-6-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,2,5,7,8-pentamethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (2,2,5,7,8-pentamethyl-4-oxo-3H-chromen-6-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-keto-2,2,5,7,8-pentamethyl-chroman-6-yl) ester Formula: C21H21NO6 MolecularWeight: 383.39454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(=O)CC(O2)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(=O)CC(O2)(C)C

InChI

InChI=1S/C21H21NO6/c1-11-12(2)19-17(16(23)10-21(4,5)28-19)13(3)18(11)27-20(24)14-6-8-15(9-7-14)22(25)26/h6-9H,10H2,1-5H3