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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N2O7S/c1-3-25-15-7-12(13(20(22)23)8-14(15)24-2)18(21)27-10-11-9-26-17(19-11)16-5-4-6-28-16/h4-9H,3,10H2,1-2H3