(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO5/c1-10-7-11(2)18(13(4)22)12(3)16(10)9-26-19(23)15-6-5-14(21(24)25)8-17(15)20/h5-8H,9H2,1-4H3