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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6S/c1-22-13-5-4-11(18(20)21)8-12(13)16(19)23-9-10-7-14(24-17-10)15-3-2-6-25-15/h2-8H,9H2,1H3