2,3,5-trimethyl-6-[(E)-4-(3-methyl-4-nitro-phenoxy)but-2-enyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3,5-trimethyl-6-[(E)-4-(3-methyl-4-nitro-phenoxy)but-2-enyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3,5-trimethyl-6-[(E)-4-(3-methyl-4-nitro-phenoxy)but-2-enyl]-1,4-benzoquinone CAS Name: 2,3,5-trimethyl-6-[(E)-4-(3-methyl-4-nitrophenoxy)but-2-enyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3,5-trimethyl-6-[(E)-4-(3-methyl-4-nitrophenoxy)but-2-enyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3,5-trimethyl-6-[(E)-4-(3-methyl-4-nitro-phenoxy)but-2-enyl]-p-benzoquinone Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=CCC2=C(C(=O)C(=C(C2=O)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC/C=C/CC2=C(C(=O)C(=C(C2=O)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO5/c1-12-11-16(8-9-18(12)21(24)25)26-10-6-5-7-17-15(4)19(22)13(2)14(3)20(17)23/h5-6,8-9,11H,7,10H2,1-4H3/b6-5+