ethene; 2-[1-[(3-nitrophenyl)methyl]cyclohexyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: ethene; 2-[1-[(3-nitrophenyl)methyl]cyclohexyl]-2-oxidanylidene-ethanoic acid Openeye Name: ethylene; 2-[1-[(3-nitrophenyl)methyl]cyclohexyl]-2-oxo-acetic acid CAS Name: ethene; 2-[1-[(3-nitrophenyl)methyl]cyclohexyl]-2-oxoacetic acid IUPAC Name: ethene; 2-[1-[(3-nitrophenyl)methyl]cyclohexyl]-2-oxoacetic acid Traditional Name: ethylene; 2-keto-2-[1-(3-nitrobenzyl)cyclohexyl]acetic acid Formula: C17H21NO5 MolecularWeight: 319.35234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C.C1CCC(CC1)(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(=O)O

Isomeric SMILES

C=C.C1CCC(CC1)(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(=O)O

InChI

InChI=1S/C15H17NO5.C2H4/c17-13(14(18)19)15(7-2-1-3-8-15)10-11-5-4-6-12(9-11)16(20)21;1-2/h4-6,9H,1-3,7-8,10H2,(H,18,19);1-2H2