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hexyl 3-methyl-2-nitro-benzoate

hexyl 3-methyl-2-nitro-benzoate

Systemtic Name:hexyl 3-methyl-2-nitro-benzoate
Openeye Name:hexyl 3-methyl-2-nitro-benzoate
CAS Name:3-methyl-2-nitrobenzoic acid hexyl ester
IUPAC Name:hexyl 3-methyl-2-nitrobenzoate
Traditional Name:3-methyl-2-nitro-benzoic acid hexyl ester
Formula: C14H19NO4
MolecularWeight: 265.30496
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C(=CC=C1)C)[N+](=O)[O-]


Isomeric SMILES

CCCCCCOC(=O)C1=C(C(=CC=C1)C)[N+](=O)[O-]


InChI

InChI=1S/C14H19NO4/c1-3-4-5-6-10-19-14(16)12-9-7-8-11(2)13(12)15(17)18/h7-9H,3-6,10H2,1-2H3


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