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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C16H12N2O5S/c1-10-12(4-2-5-13(10)18(20)21)16(19)22-9-11-8-14(23-17-11)15-6-3-7-24-15/h2-8H,9H2,1H3