ethyl 3-nitro-4-(1-oxidanylhexyl)benzoate

Systemtic Name: ethyl 3-nitro-4-(1-oxidanylhexyl)benzoate Openeye Name: ethyl 4-(1-hydroxyhexyl)-3-nitro-benzoate CAS Name: 4-(1-hydroxyhexyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(1-hydroxyhexyl)-3-nitrobenzoate Traditional Name: 4-(1-hydroxyhexyl)-3-nitro-benzoic acid ethyl ester Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5/c1-3-5-6-7-14(17)12-9-8-11(15(18)21-4-2)10-13(12)16(19)20/h8-10,14,17H,3-7H2,1-2H3