(2-ethoxy-4-methanoyl-phenyl) 3-methyl-5-nitro-benzoate

Systemtic Name: (2-ethoxy-4-methanoyl-phenyl) 3-methyl-5-nitro-benzoate Openeye Name: (2-ethoxy-4-formyl-phenyl) 3-methyl-5-nitro-benzoate CAS Name: 3-methyl-5-nitrobenzoic acid (2-ethoxy-4-formylphenyl) ester IUPAC Name: (2-ethoxy-4-formylphenyl) 3-methyl-5-nitrobenzoate Traditional Name: 3-methyl-5-nitro-benzoic acid (2-ethoxy-4-formyl-phenyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-3-23-16-8-12(10-19)4-5-15(16)24-17(20)13-6-11(2)7-14(9-13)18(21)22/h4-10H,3H2,1-2H3