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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H14N2O7S MolecularWeight: 390.36726

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=CS3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N2O7S/c1-23-13-7-11(12(19(21)22)8-14(13)24-2)17(20)25-9-10-6-15(26-18-10)16-4-3-5-27-16/h3-8H,9H2,1-2H3