ethyl 3-nitro-4-(2-oxidanylidenehexyl)benzoate

Systemtic Name: ethyl 3-nitro-4-(2-oxidanylidenehexyl)benzoate Openeye Name: ethyl 3-nitro-4-(2-oxohexyl)benzoate CAS Name: 3-nitro-4-(2-oxohexyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-(2-oxohexyl)benzoate Traditional Name: 4-(2-ketohexyl)-3-nitro-benzoic acid ethyl ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)CC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO5/c1-3-5-6-13(17)9-11-7-8-12(15(18)21-4-2)10-14(11)16(19)20/h7-8,10H,3-6,9H2,1-2H3