3-methylpentan-3-yl 4-nitrobenzoate

Systemtic Name: 3-methylpentan-3-yl 4-nitrobenzoate Openeye Name: (1-ethyl-1-methyl-propyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-methylpentan-3-yl ester IUPAC Name: 3-methylpentan-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-ethyl-1-methyl-propyl) ester Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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