(5-methyl-2-propan-2-yl-phenyl) 4-nitrobenzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-nitrobenzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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