methyl 3-[2-(2-methoxyethoxy)ethoxy]-4-nitro-benzoate

Systemtic Name: methyl 3-[2-(2-methoxyethoxy)ethoxy]-4-nitro-benzoate Openeye Name: methyl 3-[2-(2-methoxyethoxy)ethoxy]-4-nitro-benzoate CAS Name: 3-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoate Traditional Name: 3-[2-(2-methoxyethoxy)ethoxy]-4-nitro-benzoic acid methyl ester Formula: C13H17NO7 MolecularWeight: 299.27658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COCCOCCOC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO7/c1-18-5-6-20-7-8-21-12-9-10(13(15)19-2)3-4-11(12)14(16)17/h3-4,9H,5-8H2,1-2H3