3-ethylpentan-2-yl 4-nitrobenzoate

Systemtic Name: 3-ethylpentan-2-yl 4-nitrobenzoate Openeye Name: (2-ethyl-1-methyl-butyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-ethylpentan-2-yl ester IUPAC Name: 3-ethylpentan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-ethyl-1-methyl-butyl) ester Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-4-11(5-2)10(3)19-14(16)12-6-8-13(9-7-12)15(17)18/h6-11H,4-5H2,1-3H3