[1-(4-methoxyphenyl)-3-oxidanylidene-butan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-(4-methoxyphenyl)-3-oxidanylidene-butan-2-yl] 4-nitrobenzoate Openeye Name: [1-[(4-methoxyphenyl)methyl]-2-oxo-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(4-methoxyphenyl)-3-oxobutan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-3-oxobutan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-1-p-anisyl-propyl) ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-12(20)17(11-13-3-9-16(24-2)10-4-13)25-18(21)14-5-7-15(8-6-14)19(22)23/h3-10,17H,11H2,1-2H3