ethyl 4-butoxy-3-nitro-benzoate

Systemtic Name: ethyl 4-butoxy-3-nitro-benzoate Openeye Name: ethyl 4-butoxy-3-nitro-benzoate CAS Name: 4-butoxy-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-butoxy-3-nitrobenzoate Traditional Name: 4-butoxy-3-nitro-benzoic acid ethyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5/c1-3-5-8-19-12-7-6-10(13(15)18-4-2)9-11(12)14(16)17/h6-7,9H,3-5,8H2,1-2H3