methyl 5-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 5-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 5-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-phenyl-4H-isoxazole-5-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-phenyl-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzyl)-3-phenyl-2-isoxazoline-5-carboxylic acid methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2(CC(=NO2)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2(CC(=NO2)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O7/c1-26-17-9-14(16(22(24)25)10-18(17)27-2)11-20(19(23)28-3)12-15(21-29-20)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3