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

Systemtic Name: [1-(3,4-dimethoxyphenyl)-3-oxidanylidene-butan-2-yl] 4-nitrobenzoate Openeye Name: [1-[(3,4-dimethoxyphenyl)methyl]-2-oxo-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(3,4-dimethoxyphenyl)-3-oxobutan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyphenyl)-3-oxobutan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-1-veratryl-propyl) ester Formula: C19H19NO7 MolecularWeight: 373.35666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7/c1-12(21)17(10-13-4-9-16(25-2)18(11-13)26-3)27-19(22)14-5-7-15(8-6-14)20(23)24/h4-9,11,17H,10H2,1-3H3