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

Systemtic Name: [(E)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] ethanoate Openeye Name: [(E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [(E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl] ester Formula: C16H15ClN2O5 MolecularWeight: 350.7537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O5/c1-9(20)24-14(12(8-18)15(21)16(2,3)4)11-6-5-10(17)7-13(11)19(22)23/h5-7H,1-4H3/b14-12+