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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-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=NOC(=C2)C3=CC=CS3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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