2-(3,5-dimethylphenoxy)ethyl 2-methyl-6-nitro-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-methyl-6-nitro-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCCOC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCCOC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H19NO5/c1-12-9-13(2)11-15(10-12)23-7-8-24-18(20)17-14(3)5-4-6-16(17)19(21)22/h4-6,9-11H,7-8H2,1-3H3