ethyl 3-(4-nitro-2-propoxy-phenyl)benzoate

Systemtic Name: ethyl 3-(4-nitro-2-propoxy-phenyl)benzoate Openeye Name: ethyl 3-(4-nitro-2-propoxy-phenyl)benzoate CAS Name: 3-(4-nitro-2-propoxyphenyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(4-nitro-2-propoxyphenyl)benzoate Traditional Name: 3-(4-nitro-2-propoxy-phenyl)benzoic acid ethyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H19NO5/c1-3-10-24-17-12-15(19(21)22)8-9-16(17)13-6-5-7-14(11-13)18(20)23-4-2/h5-9,11-12H,3-4,10H2,1-2H3