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

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-methyl-3-nitro-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-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=C(C=C1)C(=O)OCCOC2=CC(=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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