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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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