methyl 3-nitro-4-octyl-benzoate

Systemtic Name: methyl 3-nitro-4-octyl-benzoate Openeye Name: methyl 3-nitro-4-octyl-benzoate CAS Name: 3-nitro-4-octylbenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-octylbenzoate Traditional Name: 3-nitro-4-octyl-benzoic acid methyl ester Formula: C16H23NO4 MolecularWeight: 293.35812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-3-4-5-6-7-8-9-13-10-11-14(16(18)21-2)12-15(13)17(19)20/h10-12H,3-9H2,1-2H3