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(phenylmethyl) 4-nitrobutanoate

(phenylmethyl) 4-nitrobutanoate

Systemtic Name:(phenylmethyl) 4-nitrobutanoate
Openeye Name:benzyl 4-nitrobutanoate
CAS Name:4-nitrobutanoic acid (phenylmethyl) ester
IUPAC Name:benzyl 4-nitrobutanoate
Traditional Name:4-nitrobutyric acid benzyl ester
Formula: C11H13NO4
MolecularWeight: 223.22522
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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