methyl 3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methoxy]-4-nitro-benzoate

Systemtic Name: methyl 3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methoxy]-4-nitro-benzoate Openeye Name: methyl 3-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methoxy]-4-nitro-benzoate CAS Name: 3-[[2-(2,4-dimethylphenyl)-4-oxazolyl]methoxy]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methoxy]-4-nitrobenzoate Traditional Name: 3-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methoxy]-4-nitro-benzoic acid methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)COC3=C(C=CC(=C3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)COC3=C(C=CC(=C3)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O6/c1-12-4-6-16(13(2)8-12)19-21-15(11-28-19)10-27-18-9-14(20(23)26-3)5-7-17(18)22(24)25/h4-9,11H,10H2,1-3H3