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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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