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

Systemtic Name: methyl 2-chloranyl-5-[(Z)-2-cyano-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]-4-nitro-benzoate Openeye Name: methyl 2-chloro-5-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]-4-nitro-benzoate CAS Name: 2-chloro-5-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-4-nitrobenzoate Traditional Name: 2-chloro-5-[(Z)-2-cyano-1-hydroxy-3-keto-4,4-dimethyl-pent-1-enyl]-4-nitro-benzoic acid methyl ester Formula: C16H15ClN2O6 MolecularWeight: 366.7531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O6/c1-16(2,3)14(21)10(7-18)13(20)9-5-8(15(22)25-4)11(17)6-12(9)19(23)24/h5-6,20H,1-4H3/b13-10-