(5-ethanoyl-2-methoxy-phenyl)methyl 3-nitrobenzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-nitrobenzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-11(19)12-6-7-16(23-2)14(8-12)10-24-17(20)13-4-3-5-15(9-13)18(21)22/h3-9H,10H2,1-2H3