methyl 3-(4-methoxybutoxy)-4-nitro-benzoate

Systemtic Name: methyl 3-(4-methoxybutoxy)-4-nitro-benzoate Openeye Name: methyl 3-(4-methoxybutoxy)-4-nitro-benzoate CAS Name: 3-(4-methoxybutoxy)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(4-methoxybutoxy)-4-nitrobenzoate Traditional Name: 3-(4-methoxybutoxy)-4-nitro-benzoic acid methyl ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCOC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COCCCCOC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6/c1-18-7-3-4-8-20-12-9-10(13(15)19-2)5-6-11(12)14(16)17/h5-6,9H,3-4,7-8H2,1-2H3