[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(2-propan-2-ylphenoxy)ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)COC2=CC=CC=C2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)COC2=CC=CC=C2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-13(2)16-6-4-5-7-19(16)26-12-20(23)27-11-18(22)15-9-8-14(3)17(10-15)21(24)25/h4-10,13H,11-12H2,1-3H3