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

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-nitrobenzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-nitrobenzoate Traditional Name: 2-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/c1-12-9-13(2)11-14(10-12)22-7-8-23-17(19)15-5-3-4-6-16(15)18(20)21/h3-6,9-11H,7-8H2,1-2H3