4-methylpentyl 4-nitrobenzoate

Systemtic Name: 4-methylpentyl 4-nitrobenzoate Openeye Name: isohexyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid isohexyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-10(2)4-3-9-18-13(15)11-5-7-12(8-6-11)14(16)17/h5-8,10H,3-4,9H2,1-2H3