[4-methyl-2-(2-methylprop-1-enyl)phenyl] 4-nitrobenzoate

Systemtic Name: [4-methyl-2-(2-methylprop-1-enyl)phenyl] 4-nitrobenzoate Openeye Name: [4-methyl-2-(2-methylprop-1-enyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-methyl-2-(2-methylprop-1-enyl)phenyl] ester IUPAC Name: [4-methyl-2-(2-methylprop-1-enyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-methyl-2-(2-methylprop-1-enyl)phenyl] ester Formula: C18H17NO4 MolecularWeight: 311.33188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-12(2)10-15-11-13(3)4-9-17(15)23-18(20)14-5-7-16(8-6-14)19(21)22/h4-11H,1-3H3