[(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] benzoate

Systemtic Name: [(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] benzoate Openeye Name: [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl] benzoate CAS Name: benzoic acid [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] ester IUPAC Name: [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl] ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(/C1=C(C=C(C=C1)Cl)[N+](=O)[O-])\OC(=O)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H17ClN2O5/c1-21(2,3)19(25)16(12-23)18(29-20(26)13-7-5-4-6-8-13)15-10-9-14(22)11-17(15)24(27)28/h4-11H,1-3H3/b18-16-