[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [5-(p-tolyl)isoxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [5-(4-methylphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [5-(p-tolyl)isoxazol-3-yl]methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H18N2O7/c1-12-4-6-13(7-5-12)17-8-14(21-29-17)11-28-20(23)15-9-18(26-2)19(27-3)10-16(15)22(24)25/h4-10H,11H2,1-3H3