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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H14N2O6S MolecularWeight: 374.36786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6S/c1-2-23-14-6-5-11(8-13(14)19(21)22)17(20)24-10-12-9-15(25-18-12)16-4-3-7-26-16/h3-9H,2,10H2,1H3