4-(4-tert-butylphenyl)-3-nitro-benzoate

Systemtic Name: 4-(4-tert-butylphenyl)-3-nitro-benzoate Openeye Name: 4-(4-tert-butylphenyl)-3-nitro-benzoate CAS Name: 4-(4-tert-butylphenyl)-3-nitrobenzoate IUPAC Name: 4-(4-tert-butylphenyl)-3-nitrobenzoate Traditional Name: 4-(4-tert-butylphenyl)-3-nitro-benzoate Formula: C17H16NO4- MolecularWeight: 298.31324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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