(3-nitrophenyl) 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate

Systemtic Name: (3-nitrophenyl) 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: (3-nitrophenyl) 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)acetic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)acetic acid (3-nitrophenyl) ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC2=CC=CC(=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OC2=CC=CC(=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H19NO5/c1-12(2)17-8-7-15(9-13(17)3)23-11-18(20)24-16-6-4-5-14(10-16)19(21)22/h4-10,12H,11H2,1-3H3