ethyl 2-butoxy-5-nitro-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: ethyl 2-butoxy-5-nitro-cyclohexa-1,5-diene-1-carboxylate Openeye Name: ethyl 2-butoxy-5-nitro-cyclohexa-1,5-diene-1-carboxylate CAS Name: 2-butoxy-5-nitro-1-cyclohexa-1,5-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butoxy-5-nitrocyclohexa-1,5-diene-1-carboxylate Traditional Name: 2-butoxy-5-nitro-cyclohexa-1,5-diene-1-carboxylic acid ethyl ester Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(CC1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(CC1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C13H19NO5/c1-3-5-8-19-12-7-6-10(14(16)17)9-11(12)13(15)18-4-2/h9H,3-8H2,1-2H3