[2,3,6-trimethyl-4-[2-methyl-1-(4-nitrophenoxy)but-3-yn-2-yl]oxy-phenyl] ethanoate

Systemtic Name: [2,3,6-trimethyl-4-[2-methyl-1-(4-nitrophenoxy)but-3-yn-2-yl]oxy-phenyl] ethanoate Openeye Name: [2,3,6-trimethyl-4-[1-methyl-1-[(4-nitrophenoxy)methyl]prop-2-ynoxy]phenyl] acetate CAS Name: acetic acid [2,3,6-trimethyl-4-[2-methyl-1-(4-nitrophenoxy)but-3-yn-2-yl]oxyphenyl] ester IUPAC Name: [2,3,6-trimethyl-4-[2-methyl-1-(4-nitrophenoxy)but-3-yn-2-yl]oxyphenyl] acetate Traditional Name: acetic acid [2,3,6-trimethyl-4-[1-methyl-1-[(4-nitrophenoxy)methyl]prop-2-ynoxy]phenyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(=O)C)C)C)OC(C)(COC2=CC=C(C=C2)[N+](=O)[O-])C#C

Isomeric SMILES

CC1=CC(=C(C(=C1OC(=O)C)C)C)OC(C)(COC2=CC=C(C=C2)[N+](=O)[O-])C#C

InChI

InChI=1S/C22H23NO6/c1-7-22(6,13-27-19-10-8-18(9-11-19)23(25)26)29-20-12-14(2)21(28-17(5)24)16(4)15(20)3/h1,8-12H,13H2,2-6H3