(4-butan-2-ylphenyl) 4-nitrobenzoate

Systemtic Name: (4-butan-2-ylphenyl) 4-nitrobenzoate Openeye Name: (4-sec-butylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-sec-butylphenyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO4/c1-3-12(2)13-6-10-16(11-7-13)22-17(19)14-4-8-15(9-5-14)18(20)21/h4-12H,3H2,1-2H3