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pentan-2-yl 4-nitrobenzoate

pentan-2-yl 4-nitrobenzoate

Systemtic Name:pentan-2-yl 4-nitrobenzoate
Openeye Name:1-methylbutyl 4-nitrobenzoate
CAS Name:4-nitrobenzoic acid pentan-2-yl ester
IUPAC Name:pentan-2-yl 4-nitrobenzoate
Traditional Name:4-nitrobenzoic acid 1-methylbutyl ester
Formula: C12H15NO4
MolecularWeight: 237.2518
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H15NO4/c1-3-4-9(2)17-12(14)10-5-7-11(8-6-10)13(15)16/h5-9H,3-4H2,1-2H3


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