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

Systemtic Name: [(E)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] 2-methylbenzoate Openeye Name: [(E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [(E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] ester IUPAC Name: [(E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [(E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl] ester Formula: C22H19ClN2O5 MolecularWeight: 426.84966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC(=C(C#N)C(=O)C(C)(C)C)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)O/C(=C(\C#N)/C(=O)C(C)(C)C)/C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN2O5/c1-13-7-5-6-8-15(13)21(27)30-19(17(12-24)20(26)22(2,3)4)16-10-9-14(23)11-18(16)25(28)29/h5-11H,1-4H3/b19-17+