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

Systemtic Name: methyl 3-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]-5-nitro-benzoate Openeye Name: methyl 3-[5-methyl-3-(3,4,5-trimethoxyphenyl)isoxazol-4-yl]-5-nitro-benzoate CAS Name: 3-[5-methyl-3-(3,4,5-trimethoxyphenyl)-4-isoxazolyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]-5-nitrobenzoate Traditional Name: 3-[5-methyl-3-(3,4,5-trimethoxyphenyl)isoxazol-4-yl]-5-nitro-benzoic acid methyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H20N2O8/c1-11-18(12-6-14(21(24)30-5)8-15(7-12)23(25)26)19(22-31-11)13-9-16(27-2)20(29-4)17(10-13)28-3/h6-10H,1-5H3