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

Systemtic Name: [(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4-methyl-3-oxidanylidene-pent-1-enyl] benzoate Openeye Name: [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4-methyl-3-oxo-pent-1-enyl] benzoate CAS Name: benzoic acid [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4-methyl-3-oxopent-1-enyl] ester IUPAC Name: [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4-methyl-3-oxopent-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4-methyl-pent-1-enyl] ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H15ClN2O5/c1-12(2)18(24)16(11-22)19(28-20(25)13-6-4-3-5-7-13)15-9-8-14(21)10-17(15)23(26)27/h3-10,12H,1-2H3/b19-16-