phenacyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: phenacyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: phenacyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid phenacyl ester Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15NO7/c1-23-15-8-12(13(18(21)22)9-16(15)24-2)17(20)25-10-14(19)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3