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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-nitrobenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6/c1-3-24-17-8-7-13(12(2)20)9-15(17)11-25-18(21)14-5-4-6-16(10-14)19(22)23/h4-10H,3,11H2,1-2H3