2-(3,5-dimethylphenoxy)ethyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-chloranyl-4-nitro-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H16ClNO5/c1-11-7-12(2)9-14(8-11)23-5-6-24-17(20)15-4-3-13(19(21)22)10-16(15)18/h3-4,7-10H,5-6H2,1-2H3