(5-phenyl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C19H16N2O7 MolecularWeight: 384.33954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H16N2O7/c1-25-17-9-14(15(21(23)24)10-18(17)26-2)19(22)27-11-13-8-16(28-20-13)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3