methyl 4-[(2-chloranyl-5-nitro-phenyl)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[(2-chloranyl-5-nitro-phenyl)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl 4-[(2-chloro-5-nitro-phenyl)methylene]-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: 4-[(2-chloro-5-nitrophenyl)methylidene]-1-[2-(1-cyclohexenyl)ethyl]-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-5-nitrophenyl)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: 4-(2-chloro-5-nitro-benzylidene)-1-[2-(cyclohexen-1-yl)ethyl]-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N1CCC3=CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N1CCC3=CCCCC3)C(=O)OC

InChI

InChI=1S/C22H23ClN2O5/c1-14-20(22(27)30-2)18(13-16-12-17(25(28)29)8-9-19(16)23)21(26)24(14)11-10-15-6-4-3-5-7-15/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3