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octan-2-yl 4-nitrobenzoate

octan-2-yl 4-nitrobenzoate

Systemtic Name:octan-2-yl 4-nitrobenzoate
Openeye Name:1-methylheptyl 4-nitrobenzoate
CAS Name:4-nitrobenzoic acid octan-2-yl ester
IUPAC Name:octan-2-yl 4-nitrobenzoate
Traditional Name:4-nitrobenzoic acid 1-methylheptyl ester
Formula: C15H21NO4
MolecularWeight: 279.33154
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H21NO4/c1-3-4-5-6-7-12(2)20-15(17)13-8-10-14(11-9-13)16(18)19/h8-12H,3-7H2,1-2H3


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