2-(3,5-dimethylphenoxy)ethyl 2-methoxy-5-nitro-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-methoxy-5-nitro-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-12-8-13(2)10-15(9-12)24-6-7-25-18(20)16-11-14(19(21)22)4-5-17(16)23-3/h4-5,8-11H,6-7H2,1-3H3