2-(3,5-dimethylphenoxy)ethyl 4-nitrobenzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-nitrobenzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-12-9-13(2)11-16(10-12)22-7-8-23-17(19)14-3-5-15(6-4-14)18(20)21/h3-6,9-11H,7-8H2,1-2H3