3-nitro-4-(4-propylcyclohexyl)benzoic acid

Systemtic Name: 3-nitro-4-(4-propylcyclohexyl)benzoic acid Openeye Name: 3-nitro-4-(4-propylcyclohexyl)benzoic acid CAS Name: 3-nitro-4-(4-propylcyclohexyl)benzoic acid IUPAC Name: 3-nitro-4-(4-propylcyclohexyl)benzoic acid Traditional Name: 3-nitro-4-(4-propylcyclohexyl)benzoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(16(18)19)10-15(14)17(20)21/h8-12H,2-7H2,1H3,(H,18,19)