pentan-2-yl 3-nitrobenzoate

Systemtic Name: pentan-2-yl 3-nitrobenzoate Openeye Name: 1-methylbutyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 3-nitrobenzoate Traditional Name: 3-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(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-3-5-9(2)17-12(14)10-6-4-7-11(8-10)13(15)16/h4,6-9H,3,5H2,1-2H3