methyl 3-nitro-4-(2-oxidanylidenepentyl)benzoate

Systemtic Name: methyl 3-nitro-4-(2-oxidanylidenepentyl)benzoate Openeye Name: methyl 3-nitro-4-(2-oxopentyl)benzoate CAS Name: 3-nitro-4-(2-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(2-oxopentyl)benzoate Traditional Name: 4-(2-ketopentyl)-3-nitro-benzoic acid methyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO5/c1-3-4-11(15)7-9-5-6-10(13(16)19-2)8-12(9)14(17)18/h5-6,8H,3-4,7H2,1-2H3