(3-nitrophenyl) 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: (3-nitrophenyl) 3-(2,5-dimethylphenoxy)propanoate Openeye Name: (3-nitrophenyl) 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid (3-nitrophenyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

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