[2-chloranyl-5-[(Z)-2-cyano-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]-4-nitro-phenyl] ethanoate

Systemtic Name: [2-chloranyl-5-[(Z)-2-cyano-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]-4-nitro-phenyl] ethanoate Openeye Name: [2-chloro-5-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]-4-nitro-phenyl] acetate CAS Name: acetic acid [2-chloro-5-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-4-nitrophenyl] ester IUPAC Name: [2-chloro-5-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-4-nitrophenyl] acetate Traditional Name: acetic acid [2-chloro-5-[(Z)-2-cyano-1-hydroxy-3-keto-4,4-dimethyl-pent-1-enyl]-4-nitro-phenyl] ester Formula: C16H15ClN2O6 MolecularWeight: 366.7531

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C(=C1)C(=C(C#N)C(=O)C(C)(C)C)O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C(=C1)/C(=C(\C#N)/C(=O)C(C)(C)C)/O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O6/c1-8(20)25-13-5-9(12(19(23)24)6-11(13)17)14(21)10(7-18)15(22)16(2,3)4/h5-6,21H,1-4H3/b14-10-