methyl 2-nitro-3-(2-oxidanylidenehexyl)benzoate

Systemtic Name: methyl 2-nitro-3-(2-oxidanylidenehexyl)benzoate Openeye Name: methyl 2-nitro-3-(2-oxohexyl)benzoate CAS Name: 2-nitro-3-(2-oxohexyl)benzoic acid methyl ester IUPAC Name: methyl 2-nitro-3-(2-oxohexyl)benzoate Traditional Name: 3-(2-ketohexyl)-2-nitro-benzoic acid methyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-3-4-7-11(16)9-10-6-5-8-12(14(17)20-2)13(10)15(18)19/h5-6,8H,3-4,7,9H2,1-2H3