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4-nitrobutyl benzoate

4-nitrobutyl benzoate

Systemtic Name:4-nitrobutyl benzoate
Openeye Name:4-nitrobutyl benzoate
CAS Name:benzoic acid 4-nitrobutyl ester
IUPAC Name:4-nitrobutyl benzoate
Traditional Name:benzoic acid 4-nitrobutyl ester
Formula: C11H13NO4
MolecularWeight: 223.22522
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H13NO4/c13-11(10-6-2-1-3-7-10)16-9-5-4-8-12(14)15/h1-3,6-7H,4-5,8-9H2


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