hexan-3-yl 4-nitrobenzoate

Systemtic Name: hexan-3-yl 4-nitrobenzoate Openeye Name: 1-ethylbutyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid hexan-3-yl ester IUPAC Name: hexan-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-ethylbutyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-5-12(4-2)18-13(15)10-6-8-11(9-7-10)14(16)17/h6-9,12H,3-5H2,1-2H3